SCHEMBL5042574

SCHEMBL5042574

CC(=O)Nc1cc(Cl)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RXFP1 Q9HBX9 1/20 0.50
EPHX1 P07099 1/20 0.49
GRIK1 P39086 1/20 0.48
KMT2A Q03164 4/20 0.47
CXCR2 P25025 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
PTK2 Q05397 1/20 0.43
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 3/20 0.43
DYRK1A Q13627 1/20 0.43
FSCN1 Q16658 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL30841749 1.00 KDM4E (0.57) KDM4EHSD17B10RXFP1EPHX1GRIK1
SCHEMBL1197038 0.85 KDM4E (0.62) KDM4EHSD17B10RXFP1EPHX1GRIK1
SCHEMBL1006639 0.83 GRIK1 (0.53) KDM4EHSD17B10GRIK1KMT2ACXCR2
SCHEMBL3782005 0.82 KDM4E (0.68) KDM4EHSD17B10EPHX1KMT2ACA1
SCHEMBL2388970 0.81 EPHX1 (0.70) KDM4EHSD17B10EPHX1KMT2AMEN1
SCHEMBL3715354 0.81 ALDH1A1 (0.58) RXFP1KMT2ACA1CA2CA9
SCHEMBL1249700 0.79 KCNMA1 (0.64) KDM4EHSD17B10KMT2AMEN1POLB
SCHEMBL11639507 0.79 RXFP1 (0.51) KDM4EHSD17B10RXFP1KMT2ACA1
SCHEMBL4913081 0.79 RXFP1 (0.51) HSD17B10RXFP1KMT2ACA1CA2
SCHEMBL9403860 0.79 KDM4E (0.59) KDM4EHSD17B10EPHX1GRIK1KMT2A

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-20250295798-A1 LIGAND-DRUG CONJUGATE OF EXATECAN ANALOGUE, AND MEDICAL USE THEREOF BEIGENE SWITZERLAND GMBH (CH) 2025-09-25 US disclosed
US-10183949-B2 Pyrimidinone derivative having autotaxin-inhibitory activity THE UNIVERSITY OF TOKYO (JP) 2019-01-22 US disclosed
EP-3187492-A1 PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY The University of Tokyo (JP) 2017-07-05 EP disclosed
US-20170158704-A1 PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2017-06-08 US disclosed
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1725565-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 Bristol-Myers Squibb Company (US) 2006-11-29 EP disclosed
WO-2005084295-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO disclosed
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 US disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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-20250295798-A1 LIGAND-DRUG CONJUGATE OF EXATECAN ANALOGUE, AND MEDICAL USE THEREOF SLC10A1, ERBB3, SLC10A2 KDM4E 1870/4885HSD17B10 1703/4885RXFP1 353/4885
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B1, HSD17B2 KDM4E 3542/4885HSD17B10 13/4885RXFP1 4656/4885
US-20170158704-A1 PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY ENPP2, ITPA, IMPA1 KDM4E 3026/4885HSD17B10 3810/4885RXFP1 298/4885
US-10183949-B2 Pyrimidinone derivative having autotaxin-inhibitory activity ENPP2, ITPA, IMPA1 KDM4E 3026/4885HSD17B10 3810/4885RXFP1 298/4885

“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.