SCHEMBL2996706

SCHEMBL2996706

COc1ccc(-c2ccc(CCl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.59
IDO1 P14902 3/20 0.52
ESR2 Q92731 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 2/20 0.48
MAPT P10636 1/20 0.48
CMA1 P23946 1/20 0.48
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CHKA P35790 1/20 0.47

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
SCHEMBL13096 0.93 IDO1 (0.58) IDO1ALDH1A1KDM4ECA12CA1
SCHEMBL1657653 0.91 IDO1 (0.56) IDO1ALDH1A1KDM4ECA12CA1
SCHEMBL467215 0.91 IDO1 (0.56) IDO1ALDH1A1KDM4ECA12CA1
SCHEMBL8993257 0.86 LTA4H (0.65) IDO1ALDH1A1KDM4ECA12CA1
SCHEMBL6157954 0.86 LTA4H (0.54) IDO1ALDH1A1KDM4ECA12CA1
(Chloromethyl)Benzene SCHEMBL28005139 0.84 LTA4H (0.69) IDO1ALDH1A1KDM4ERAB9ACA12
SCHEMBL11711227 0.83 MAOB (0.66) MAOBIDO1ESR2ALDH1A1KDM4E
SCHEMBL28148603 0.83 IDO1 (0.48) IDO1ALDH1A1KDM4ECA12CA1
SCHEMBL6059611 0.81 LTA4H (0.71) MAOBIDO1ESR2ALDH1A1CA12
SCHEMBL22451382 0.81 LTA4H (0.71) MAOBIDO1ESR2ALDH1A1CA12

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-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2026-02-05 US disclosed
EP-4568959-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
EP-4568746-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
EP-4568960-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
EP-4568958-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
CN-119768401-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-04-04 CN disclosed
CN-119698413-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-25 CN disclosed
CN-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 CN disclosed
WO-2024033388-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO disclosed
WO-2024033458-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 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 (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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS MAOB 749/4885IDO1 735/4885ESR2 2179/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS MAOB 749/4885IDO1 735/4885ESR2 2179/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS MAOB 749/4885IDO1 735/4885ESR2 2179/4885
US-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES SCN1B, SCN2B, SCN11A MAOB 462/4885IDO1 1283/4885ESR2 2021/4885

“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.