SCHEMBL718585

SCHEMBL718585

CC(=O)c1nc(Br)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
CA9 Q16790 1/20 0.34
GRM5 P41594 1/20 0.34
HPGD P15428 3/20 0.33
ALPL P05186 2/20 0.33
ALOX15 P16050 2/20 0.33
CES2 O00748 1/20 0.33
GALR3 O60755 1/20 0.33
PKM P14618 1/20 0.33
PLAA Q9Y263 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALPG P10696 1/20 0.33
IKBKB O14920 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL20312711 0.81 IKBKB (0.35) GRM5CYP1A2IKBKBSMN1; SMN2ALDH1A1
SCHEMBL17706530 0.81 THRB (0.35) THRBCA9GRM5HPGDALOX15
SCHEMBL14458093 0.80 THRB (0.38) THRBCA9GRM5HPGDALOX15
SCHEMBL595464 0.80 ALDH1A1 (0.41) THRBCA9HPGDALOX15CES2
SCHEMBL1585112 0.79 KMT2A (0.36) GRM5PKMCYP2C9CYP2C19IKBKB
SCHEMBL30409470 0.79 PTGS2 (0.33) IKBKBGAAL3MBTL1MEN1KMT2A
SCHEMBL31134721 0.79 KMT2A (0.36) GRM5PKMCYP2C9CYP2C19IKBKB
SCHEMBL1855234 0.79 PTGS2 (0.33) IKBKBGAAL3MBTL1MEN1KMT2A
SCHEMBL28393342 0.78 KMT2A (0.37) THRBHPGDALOX15CES2GALR3
SCHEMBL12647208 0.78 GRM5 (0.53) THRBGRM5HPGDALOX15PKM

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
EP-3255042-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME BEYONDBIO INC (KR) 2020-12-30 EP disclosed
EP-3255042-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME BEYONDBIO INC (KR) 2020-12-30 EP disclosed
US-20200190062-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME BEYONDBIO INC. (KR) 2020-06-18 US disclosed
US-10611754-B2 Heterocyclic compound and pharmaceutical composition comprising same BEYONDBIO INC. (KR) 2020-04-07 US disclosed
US-20190135786-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME BEYONDBIO INC. (KR) 2019-05-09 US disclosed
US-10227328-B2 Heterocyclic compound and pharmaceutical composition comprising same BEYONDBIO INC. (KR) 2019-03-12 US disclosed
US-20180273510-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME BEYONDBIO INC. (KR) 2018-09-27 US disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 US disclosed
WO-2017132538-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-03 WO disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 US disclosed
WO-2016126085-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 비욘드바이오주식회사 2016-08-11 WO disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP THRB 2083/4885CA9 801/4885GRM5 3329/4885
US-20190135786-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CDK5, CDK1, CDK4 THRB 4215/4885CA9 1615/4885GRM5 1047/4885
US-10227328-B2 Heterocyclic compound and pharmaceutical composition comprising same CDK5, CDK1, CDK4 THRB 4215/4885CA9 1615/4885GRM5 1047/4885
US-20200190062-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CDK5, CDK3, CDK1 THRB 3541/4885CA9 1804/4885GRM5 924/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP THRB 2083/4885CA9 801/4885GRM5 3329/4885
US-20180273510-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CDK5, CDK1, CDK4 THRB 4215/4885CA9 1615/4885GRM5 1047/4885
US-20170217980-A1 AMLEXANOX ANALOGS GPR119, GLP1R, IRS1 THRB 768/4885CA9 4828/4885GRM5 2608/4885
US-10611754-B2 Heterocyclic compound and pharmaceutical composition comprising same CDK5, CDK1, CDK4 THRB 4215/4885CA9 1615/4885GRM5 1047/4885

“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.