SCHEMBL3741899

SCHEMBL3741899

NCCCOc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
KCNH2 Q12809 1/20 0.47
GPR84 Q9NQS5 1/20 0.45
POLB P06746 1/20 0.44
PNMT P11086 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL7535109 0.98 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1246531 0.94 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL19908572 0.92 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4025477 0.92 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3298738 0.90 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7530909 0.88 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28514514 0.85 GPR84 (0.50) KDM4EGPR84
SCHEMBL17163963 0.85 SOS1 (0.45) KDM4EMEN1KMT2AKCNH2
SCHEMBL7237460 0.83 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14301001 0.83 DRD2 (0.57) KDM4ESMN1; SMN2KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760834-B1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2760834-B1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2760829-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-18 EP disclosed
EP-2760829-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-18 EP disclosed
US-9249096-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-9249096-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-9249096-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
EP-2760828-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 EP disclosed
EP-2760828-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 EP disclosed
US-9120794-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO disclosed
EP-1190710-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR DIABETES SHIONOGI & CO., LTD. (JP) 2002-03-27 EP disclosed
EP-0724578-A1 AMINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011240-A1 AMINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed
EP-0183147-A2 Beta-substituted aminophenethylazol derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-06-04 EP disclosed
EP-0183238-A2 7-Oxabicycloheptane substituted oxa prostaglandin analogs E.R. Squibb & Sons, Inc. (US) 1986-06-04 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 (2 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-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 KDM4E 2075/4885SMN1; SMN2 831/4885ALDH1A1 765/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 KDM4E 2075/4885SMN1; SMN2 831/4885ALDH1A1 765/4885

“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.