SCHEMBL1999671

SCHEMBL1999671

O=C(O)c1csc(-c2cnccn2)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
KDM4E B2RXH2 2/20 0.55
NAPRT Q6XQN6 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
HPGDS O60760 1/20 0.49
ALDH1A1 P00352 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
MC3R P41968 1/20 0.44
ACHE P22303 1/20 0.42
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41

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
SCHEMBL5190539 0.86 HDAC6 (0.69) HDAC1HDAC8HDAC6KDM4ENAPRT
SCHEMBL2553430 0.82 HDAC6 (0.77) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL2554696 0.82 HDAC6 (0.68) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL10054632 0.79 CDC7 (0.62) HDAC1HDAC8HDAC6ALDH1A1CDC7
SCHEMBL2550713 0.77 PDE10A (0.57) KDM4ENAPRTHPGDSALDH1A1ADORA3
SCHEMBL2926822 0.77 HDAC1 (0.55) HDAC1HDAC8HDAC6KDM4ENAPRT
SCHEMBL4022290 0.77 HDAC1 (0.55) HDAC1HDAC8HDAC6KDM4ENAPRT
SCHEMBL6786585 0.76 ALDH1A1 (0.63) HDAC1HDAC8HDAC6KDM4EHPGDS
SCHEMBL3435670 0.76 ALDH1A1 (0.49) HDAC1HDAC8HDAC6KDM4EHPGDS
SCHEMBL1995375 0.74 HPGDS (0.59) KDM4ENAPRTHPGDSALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
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
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
CN-1179156-A Indole derivatives as 5-HT receptor antagonists SMITHKINE BEECHAM PLC (GB) 1998-04-15 CN disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO disclosed
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 EP 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HDAC1 458/4885HDAC8 770/4885HDAC6 461/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HDAC1 458/4885HDAC8 770/4885HDAC6 461/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HDAC1 458/4885HDAC8 770/4885HDAC6 461/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R HDAC1 458/4885HDAC8 770/4885HDAC6 461/4885

“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.