SCHEMBL8937096

SCHEMBL8937096

CCCCCCc1nc(-c2nc(CCCCCC)c(Br)s2)sc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
DHFR P00374 1/20 0.33
GPR35 Q9HC97 4/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL15955161 1.00 ALDH1A1 (0.38) ALDH1A1KCNH2MEN1KMT2APKM
SCHEMBL15965435 1.00 ALDH1A1 (0.38) ALDH1A1KCNH2MEN1KMT2APKM
SCHEMBL8937095 1.00 ALDH1A1 (0.38) ALDH1A1KCNH2MEN1KMT2APKM
SCHEMBL15965436 0.92 ALDH1A1 (0.33) ALDH1A1KCNH2MEN1KMT2APKM
SCHEMBL15965432 0.92 ALDH1A1 (0.33) ALDH1A1KCNH2MEN1KMT2APKM
SCHEMBL3822615 0.86 ALDH1A1 (0.39) ALDH1A1KCNH2MEN1KMT2APKM
SCHEMBL13566357 0.81 ALDH1A1 (0.36) ALDH1A1KCNH2MEN1KMT2APKM
SCHEMBL12921569 0.80 KCNH2 (0.33) KCNH2MEN1KMT2ADHFRGPR35
SCHEMBL5949101 0.80 KCNH2 (0.33) KCNH2MEN1KMT2ADHFRGPR35
SCHEMBL18750419 0.80 ALDH1A1 (0.31) ALDH1A1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611233-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2017-04-04 US disclosed
US-9611233-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2017-04-04 US disclosed
US-20160152633-A1 NOVEL ORGANIC COMPOUND CANON KK (JP) 2016-06-02 US disclosed
US-20160152633-A1 NOVEL ORGANIC COMPOUND CANON KK (JP) 2016-06-02 US disclosed
EP-2719702-B1 ELECTROCHROMIC ELEMENT CANON KK (JP) 2016-05-11 EP disclosed
US-9284328-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2016-03-15 US disclosed
US-20150031894-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2015-01-29 US disclosed
US-20150031894-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2015-01-29 US disclosed
EP-2719702-A1 ELECTROCHROMIC ELEMENT Canon Kabushiki Kaisha (JP) 2014-04-16 EP disclosed
US-7709829-B2 Organic semiconductor material, organic transistor, field effect transistor, switching device and thiazole compound KONICA MINOLTA HOLDINGS, INC. (JP) 2010-05-04 US disclosed
US-20080251784-A1 Organic Semiconductor Material, Organic Transistor, Field Effect Transistor, Switching Device and Thiazole Compound EDISON INNOVATIONS LLC 2008-10-16 US disclosed
US-5536808-A Thiazole polymers and method of producing same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-07-16 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 (2 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-20150031894-A1 NOVEL ORGANIC COMPOUND AOX1, AOC2, OXER1 ALDH1A1 21/4885KCNH2 50/4885MEN1 3650/4885
US-20160152633-A1 NOVEL ORGANIC COMPOUND AOX1, AOC2, OXER1 ALDH1A1 21/4885KCNH2 50/4885MEN1 3650/4885

“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.