SCHEMBL4167422

SCHEMBL4167422

Nc1cc(Cl)cc2c1OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
LARS1 Q9P2J5 2/20 0.38
AHR P35869 1/20 0.35
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAP3K14 Q99558 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL5216895 0.83 AHR (0.35) MAPTTDP1AHRALDH1A1TSHR
SCHEMBL263819 0.75 MEN1 (0.41) MAPTLARS1AHRHTR1AMAP3K14
SCHEMBL31276593 0.75 MAP3K14 (0.33) LARS1AHRHTR1AMAP3K14
SCHEMBL13534197 0.75 MAP3K14 (0.42) LARS1AHRHTR1AALDH1A1KDM4E
SCHEMBL29868877 0.75 PARP1 (0.36) MAPTLARS1ALDH1A1KDM4EGAA
SCHEMBL4180857 0.75 MAPT (0.42) MAPTTDP1LARS1AHRALDH1A1
SCHEMBL419983 0.75 PARP1 (0.36) MAPTLARS1ALDH1A1KDM4EGAA
SCHEMBL4107808 0.73 PARP1 (0.39) MAPTTDP1ALDH1A1TSHRCYP3A4
SCHEMBL30695888 0.73 PARP1 (0.39) MAPTTDP1ALDH1A1TSHRCYP3A4
SCHEMBL25166256 0.72 MAPT (0.37) MAPTTDP1LARS1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712969-A1 CYCLIN INHIBITORS Circle Pharma, Inc. (US) 2026-03-25 EP disclosed
US-20240408169-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-12-12 US disclosed
EP-2791121-B1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-08-03 EP disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
EP-2791121-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-10-22 EP disclosed
US-8524745-B2 Benzisothiazol-3(1H)-one-5-sulfonyl derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-09-03 US disclosed
WO-2013090227-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-20 WO disclosed
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO disclosed
EP-0982305-B1 Indane-1-ol derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-03-06 EP disclosed
US-6153625-A Indan-1-ol compounds ADIR ET COMPAGNIE (FR) 2000-11-28 US disclosed
EP-0982305-A1 Indane-1-ol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-03-01 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-20240408169-A1 CYCLIN INHIBITORS CCNI, CDK2, CDK1 MAPT 3955/4885TDP1 1806/4885LARS1 2436/4885
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR5, CCR2, CX3CR1 MAPT 4339/4885TDP1 4683/4885LARS1 4637/4885
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX MAPT 2057/4885TDP1 728/4885LARS1 3260/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX MAPT 1924/4885TDP1 868/4885LARS1 3486/4885

“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.