SCHEMBL2369810

SCHEMBL2369810

COC(=O)C(N)Cc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
ALDH1A1 P00352 1/20 0.50
ACACB O00763 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CSK P41240 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC7A5 Q01650 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14884551 1.00 HDAC1 (0.51) HDAC1HDAC6ALDH1A1ACACBESR1
SCHEMBL3995126 1.00 HDAC1 (0.51) HDAC1HDAC6ALDH1A1ACACBESR1
Hydrochloric Acid SCHEMBL3998750 0.98 ALDH1A1 (0.52) HDAC1HDAC6ALDH1A1ACACBESR1
Hydrochloric Acid SCHEMBL3972036 0.98 ALDH1A1 (0.52) HDAC1HDAC6ALDH1A1ACACBESR1
Hydrochloric Acid SCHEMBL16061012 0.98 ALDH1A1 (0.52) HDAC1HDAC6ALDH1A1ACACBESR1
SCHEMBL3742216 0.85 ACACB (0.42) HDAC1HDAC6ACACBCSKSLC7A5
SCHEMBL839117 0.85 MMP8 (0.44) HDAC1HDAC6ACACBSLC7A5MEN1
SCHEMBL839784 0.85 MMP8 (0.44) HDAC1HDAC6ACACBSLC7A5MEN1
SCHEMBL4881644 0.85 MMP8 (0.44) HDAC1HDAC6ACACBSLC7A5MEN1
SCHEMBL24648908 0.84 ALDH1A1 (0.51) ALDH1A1ACACBESR1ESR2TDP1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106188224-A A kind of multiple target-point anti-cancer medicine and preparation method and application 广东工业大学 2016-12-07 CN claimed
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY ST LOUIS (US) 2025-12-18 US disclosed
WO-2023250339-A2 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2023-12-28 WO disclosed
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
CN-105142635-B Heterocyclic compounds useful for the treatment of diseases 艾匹根生物技术有限公司 2021-07-27 CN disclosed
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 EP disclosed
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors CTXT PTY LTD (AU) 2019-09-24 US disclosed
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2019-03-07 US disclosed
EP-3426648-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS Ctxt Pty Ltd (AU) 2019-01-16 EP disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP disclosed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed
CN-1288457-A Inhibitors of & alpha, 4 mediated cell adhesion TANABE SEIYAKU CO (JP) 2001-03-21 CN 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 (6 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 HDAC1 1637/4885HDAC6 456/4885ALDH1A1 3511/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 HDAC1 831/4885HDAC6 1067/4885ALDH1A1 2886/4885
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 HDAC1 98/4885HDAC6 1241/4885ALDH1A1 4294/4885
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 HDAC1 98/4885HDAC6 1241/4885ALDH1A1 4294/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO HDAC1 1171/4885HDAC6 1063/4885ALDH1A1 711/4885
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF CXCR4, SDF4, ITGB4 HDAC1 2445/4885HDAC6 1044/4885ALDH1A1 523/4885

“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.