SCHEMBL17080249

SCHEMBL17080249

NC(=O)OCCc1cnc(-c2ccccc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ HPGDS O60760 2/20 0.46
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RARB P10826 1/20 0.43
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL17080263 0.80 HPGDS (0.49) HPGDSNPC1RAB9ASMN1; SMN2RARB
SCHEMBL14856087 0.79 LMNA (0.64) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
Phenylethyl Carbamate SCHEMBL111316 0.78 LMNA (0.79) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28752307 0.73 NPC1 (0.54) HPGDSNPC1RAB9ASMN1; SMN2RARB
SCHEMBL18381563 0.73 SMN1; SMN2 (0.54) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2843167 0.72 HPGDS (0.55) HPGDSNPC1RAB9ASMN1; SMN2RARB
SCHEMBL4791511 0.72 LMNA (0.44) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL17080257 0.72 SMN1; SMN2 (0.52) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL27718122 0.72 ABCC4 (0.57) LMNAHPGDSNPC1RAB9ASMN1; SMN2
SCHEMBL1244783 0.71 SMN1; SMN2 (0.56) LMNAHPGDSNPC1RAB9ASMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 — — US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 — — US disclosed
CN-106413402-B Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2020-10-30 — — CN disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 — — EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 — — EP disclosed
US-10183936-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-01-22 — — US disclosed
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporationt (US) 2018-09-27 — — US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 — — US disclosed
EP-3116316-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research And Technology Corporation (US) 2017-01-18 — — EP disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 — — WO 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 (5 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 LMNA 4824/4885HPGDS 2852/4885NPC1 953/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 LMNA 4824/4885HPGDS 2852/4885NPC1 953/4885
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 LMNA 4824/4885HPGDS 2852/4885NPC1 953/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 LMNA 4824/4885HPGDS 2852/4885NPC1 953/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 LMNA 4824/4885HPGDS 2852/4885NPC1 953/4885

“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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