SCHEMBL1995375

SCHEMBL1995375

O=C(O)c1csc(-c2ncccn2)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 2/20 0.53
ACHE P22303 1/20 0.51
TLR7 Q9NYK1 1/20 0.49
LMNA P02545 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP19A1 P11511 5/20 0.47

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
SCHEMBL6786585 0.83 ALDH1A1 (0.63) HPGDSKDM4EALDH1A1ACHEL3MBTL1
SCHEMBL2550713 0.81 PDE10A (0.57) HPGDSKDM4EALDH1A1ACHETLR7
SCHEMBL2547543 0.81 ACHE (0.57) HPGDSKDM4EALDH1A1ACHETLR7
SCHEMBL2552069 0.81 ALDH1A1 (0.51) ALDH1A1TLR7
SCHEMBL27740378 0.80 ACHE (0.55) HPGDSKDM4EALDH1A1ACHETLR7
SCHEMBL9823339 0.79 EGLN1 (0.53) HPGDSKDM4EALDH1A1ACHETLR7
SCHEMBL28780113 0.79 ACHE (0.54) HPGDSKDM4EALDH1A1ACHETLR7
SCHEMBL6122013 0.78 KDM4E (0.54) HPGDSKDM4EALDH1A1ACHETLR7
SCHEMBL22792368 0.77 KDM4E (0.50) HPGDSKDM4EALDH1A1ACHETLR7
SCHEMBL352152 0.77 HPGDS (0.73) HPGDSKDM4EALDH1A1ACHETLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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 (8 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HPGDS 4601/4885KDM4E 1864/4885ALDH1A1 440/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HPGDS 4601/4885KDM4E 1864/4885ALDH1A1 440/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HPGDS 4601/4885KDM4E 1864/4885ALDH1A1 440/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HPGDS 4601/4885KDM4E 1864/4885ALDH1A1 440/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 HPGDS 141/4885KDM4E 2243/4885ALDH1A1 1229/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R HPGDS 4601/4885KDM4E 1864/4885ALDH1A1 440/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT HPGDS 267/4885KDM4E 2232/4885ALDH1A1 178/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 HPGDS 139/4885KDM4E 1921/4885ALDH1A1 648/4885

“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.