SCHEMBL13735781

SCHEMBL13735781

COc1c(C)cc2nc(N)sc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NQO2 P16083 3/20 0.36
ILK Q13418 1/20 0.35
BACE1 P56817 1/20 0.34
FTO Q9C0B1 2/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL1282780 0.86 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL27051994 0.79 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL34471465 0.74 CYP3A4 (0.45) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL13734503 0.74 SMN1; SMN2 (0.46) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL10464582 0.72 ADORA1 (0.47) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL18038426 0.72 CYP3A4 (0.50) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL14347169 0.71 SMN1; SMN2 (0.68) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL20855167 0.71 SMN1; SMN2 (0.49) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL25339259 0.71 CYP3A4 (0.45) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL29682132 0.71 CYP3A4 (0.45) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181555-B1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2018-11-28 EP disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 EP disclosed
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 EP disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
EP-2699558-B1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2016-11-23 EP disclosed
EP-2699558-B1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2016-11-23 EP disclosed
US-20160024104-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-28 US disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 US disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 US disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 US disclosed
EP-2699558-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2014-02-26 EP disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US disclosed
WO-2012145728-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2012-10-26 WO disclosed
WO-2012145728-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2012-10-26 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 (3 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-20170088554-A1 THERAPEUTIC COMPOUNDS FURIN, NFATC1, NPC1 SMN1; SMN2 679/4885CYP3A4 3708/4885ALDH1A1 1034/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 SMN1; SMN2 2419/4885CYP3A4 940/4885ALDH1A1 543/4885
US-20160024104-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, NPC1 SMN1; SMN2 727/4885CYP3A4 3726/4885ALDH1A1 1032/4885

“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.