SCHEMBL5899479

SCHEMBL5899479

NCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.67
▸ CES2 O00748 1/20 0.61
▸ CES1 P23141 1/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ HPGD P15428 4/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ ALDH1A1 P00352 3/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ PLAU P00749 2/20 0.52
▸ F2 P00734 1/20 0.52
▸ PLG P00747 1/20 0.52
▸ KLKB1 P03952 1/20 0.52
▸ KLK1 P06870 1/20 0.52
▸ PRSS1 P07477 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ EGFR P00533 1/20 0.52
▸ TP53 P04637 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2071591 0.98 PTPN1 (0.65) PTPN1CES2CES1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL29393701 0.98 PTPN1 (0.65) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL1974978 0.83 PTPN1 (0.71) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL29489791 0.83 PTPN1 (0.71) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL1448153 0.82 PTPN1 (0.69) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL30375368 0.82 PTPN1 (0.69) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL28345275 0.82 PTPN1 (0.69) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL1314790 0.81 PLAU (0.46) PTPN1CES2CES1SMN1; SMN2HPGD
SCHEMBL2758626 0.81 CYP2A6 (0.55) PTPN1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL2774094 0.81 SMN1; SMN2 (0.72) PTPN1CES2CES1SMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445812-B1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS AND FILMS MADE THEREFROM EASTMAN CHEM CO (US) 2023-10-25 — — EP disclosed
EP-3558980-B1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2021-01-27 — — EP disclosed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 — — US disclosed
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2020-04-28 — — US disclosed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 — — US disclosed
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2019-09-10 — — US disclosed
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2019-08-27 — — US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 — — US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 — — US disclosed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 — — WO disclosed
US-20100239962-A1 TWO-PHOTON ABSORBING OPTICAL RECORDING MATERIAL AND TWO-PHOTON ABSORBING OPTICAL RECORDING AND REPRODUCING METHOD FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
US-7771915-B2 Two-photon absorbing optical recording material and two-photon absorbing optical recording and reproducing method FUJIFILM CORPORATION (JP) 2010-08-10 — — US disclosed
US-7754747-B2 Oxazolo-naphthyl acids WYETH LLC (US) 2010-07-13 — — US disclosed
US-20090303855-A1 TWO-PHOTON-ABSORBING RECORDING MEDIUM, TWO-PHOTON-ABSORBING RECORDING/REPRODUCING METHOD, AND TWO-PHOTON-ABSORBING RECORDING/REPRODUCING APPARATUS FUJIFILM CORPORATION (JP) 2009-12-10 — — US disclosed
US-7588863-B2 Hologram recording method and hologram recording material FUJIFILM CORPORATION (JP) 2009-09-15 — — US disclosed
US-7582390-B2 Two-photon absorbing polymerization method, two-photon absorbing optical recording material and two-photon absorbing optical recording method FUJIFILM CORPORATION (JP) 2009-09-01 — — US disclosed
US-7582391-B2 Two-photon absorption decolorizable material, two-photon absorption refractive index modulation material, two-photon absorption polymerization material, two-photon absorption polymerization method and three-dimensional optical recording material FUJIFILM CORPORATION (JP) 2009-09-01 — — US disclosed
US-7572555-B2 Hologram recording material, hologram recording method and optical recording medium FUJIFILM CORPORATION (JP) 2009-08-11 — — US disclosed
US-7531667-B2 Two-photon absorption dye-containing material, three-dimensional refractive index modulation material, three-dimensional absorption index modulation material and three-dimensional optical recording material FUJIFILM CORPORATION (JP) 2009-05-12 — — US disclosed
US-20060025445-A1 11-Beta HSD1 inhibitors WYETH 2006-02-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS PTPN1 3355/4885CES2 1499/4885CES1 3369/4885
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease FABP1, LIPC, SLC10A1 PTPN1 1367/4885CES2 238/4885CES1 8/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 PTPN1 539/4885CES2 1283/4885CES1 435/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS PTPN1 3355/4885CES2 1499/4885CES1 3369/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 PTPN1 539/4885CES2 1257/4885CES1 437/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 PTPN1 652/4885CES2 1311/4885CES1 471/4885
US-20060025445-A1 11-Beta HSD1 inhibitors HSD11B1, HSD11B2, HSD3B1 PTPN1 2903/4885CES2 1431/4885CES1 35/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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