SCHEMBL17085976

SCHEMBL17085976

CN(C)S(=O)(=O)c1ccc(CCCN=[N+]=[N-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CNR2 P34972 3/20 0.40
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ LOX P28300 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL17085974 0.91 ALDH1A1 (0.43) PDPK1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL14270216 0.83 LMNA (0.44) LMNAALDH1A1SMN1; SMN2HTTCA2
SCHEMBL24162765 0.79 CNR2 (0.47) LMNASMN1; SMN2CNR2CA2CA9
SCHEMBL25415410 0.78 CNR2 (0.46) LMNASMN1; SMN2CNR2CA2CA9
SCHEMBL21084402 0.78 ADRB2 (0.48) PDPK1CA2CA9ADRB2LOX
SCHEMBL18381561 0.76 LMNA (0.47) LMNAALDH1A1SMN1; SMN2HTTCNR2
SCHEMBL17085975 0.76 CA2 (0.47) LMNAALDH1A1SMN1; SMN2HTTCNR2
SCHEMBL13608769 0.75 ADRB2 (0.47) PDPK1ADRB2
SCHEMBL12040860 0.74 CA2 (0.62) LMNAALDH1A1SMN1; SMN2HTTCNR2
Hydrochloric Acid SCHEMBL21110581 0.74 F2 (0.47) LMNAALDH1A1SMN1; SMN2HTTCA2

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 9 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-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 — — US disclosed
EP-3974426-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporation (US) 2022-03-30 — — EP disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 — — US 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 — — US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 — — US 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 (4 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 PDPK1 1216/4885LMNA 4824/4885ALDH1A1 4382/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 PDPK1 1216/4885LMNA 4824/4885ALDH1A1 4382/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 PDPK1 1216/4885LMNA 4824/4885ALDH1A1 4382/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 PDPK1 1216/4885LMNA 4824/4885ALDH1A1 4382/4885

“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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