SCHEMBL13826178

SCHEMBL13826178

COc1c(C)cc2nc(N(C)C)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
MITF O75030 1/20 0.37
HTT P42858 3/20 0.34
EGFR P00533 2/20 0.34
ALDH1A1 P00352 2/20 0.34
XPO1 O14980 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CRHR1 P34998 1/20 0.33
RAB9A P51151 1/20 0.33
EPHB4 P54760 1/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL13735898 0.84 EGFR (0.35) MAPTHTTEGFRMEN1KMT2A
SCHEMBL13734503 0.82 SMN1; SMN2 (0.46) MAPTHTTEGFRALDH1A1MEN1
SCHEMBL13736446 0.78 THRB (0.35) MAPTHTTEGFRALDH1A1MEN1
SCHEMBL13826237 0.76 KDM4E (0.44) MAPTMITFALDH1A1MEN1KMT2A
SCHEMBL13826809 0.74 EGFR (0.32) MAPTEGFRMEN1KMT2ANPSR1
SCHEMBL13826179 0.73 CYP3A4 (0.46) MAPTMITFRAB9APOLBKDM4E
SCHEMBL15468878 0.73 CYP3A4 (0.38) MAPTMITFRAB9A
SCHEMBL18676708 0.73 MAPT (0.39) MAPTMITFALDH1A1MEN1KMT2A
SCHEMBL25418066 0.71 HTT (0.40) MAPTMITFHTTALDH1A1MEN1
SCHEMBL243387 0.64 KDM4E (0.45) MAPTHTTEGFRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-9464096-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2016-10-11 US disclosed
US-9464096-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2016-10-11 US disclosed
US-20160024104-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-28 US 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-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

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 MAPT 640/4885MITF 601/4885HTT 1667/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 MAPT 333/4885MITF 115/4885HTT 1336/4885
US-20160024104-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, NPC1 MAPT 665/4885MITF 613/4885HTT 1733/4885

“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.