SCHEMBL1246531

SCHEMBL1246531

NCCCCOc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.47
KCNH2 Q12809 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
PNMT P11086 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MRGPRX4 Q96LA9 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
SCHEMBL4025477 0.98 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL19908572 0.98 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3741899 0.94 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7535109 0.92 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3298738 0.88 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7530909 0.86 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL18263421 0.84 TP53 (0.58) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23901544 0.82 DRD2 (0.55) KDM4ESMN1; SMN2KMT2AL3MBTL1POLB
SCHEMBL7972561 0.82 TP53 (0.61) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7237460 0.82 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845742-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-12-19 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
EP-2464353-B1 TRIAZINE DERIVATIVES FOR USE IN THE TREATMENT OF MALARIA CSIR (ZA) 2017-03-29 EP disclosed
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-20140213588-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-31 US disclosed
WO-2013048982-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013048982-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013048930-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013049096-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013049096-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
EP-2464353-A1 TRIAZINE DERIVATES FOR USE IN THE TREATMENT OF MALARIA CSIR (ZA) 2012-06-20 EP disclosed
US-20120142920-A1 TRIAZINE DERIVATIVES FOR USE IN THE TREATMENT OF MALARIA CSIR (ZA) 2012-06-07 US disclosed
WO-2011018742-A1 TRIAZINE DERIVATES FOR USE IN THE TREATMENT OF MALARIA CSIR (ZA) 2011-02-17 WO disclosed
EP-1190710-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR DIABETES SHIONOGI & CO., LTD. (JP) 2002-03-27 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-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 KDM4E 4720/4885SMN1; SMN2 4637/4885ALDH1A1 1099/4885
US-20120142920-A1 TRIAZINE DERIVATIVES FOR USE IN THE TREATMENT OF MALARIA CYP3A7, CCR7, CYP3A5 KDM4E 2423/4885SMN1; SMN2 3258/4885ALDH1A1 2433/4885
US-11845742-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC47A1, SLC47A2 KDM4E 4720/4885SMN1; SMN2 4637/4885ALDH1A1 1099/4885
US-20140213588-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL KDM4E 715/4885SMN1; SMN2 4684/4885ALDH1A1 457/4885

“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.