SCHEMBL859624

SCHEMBL859624

Clc1nc2ccccn2c1CBr

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 6/20 0.47
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 4/20 0.47
GLA P06280 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
RAB9A P51151 4/20 0.45
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP4 P27487 2/20 0.43
SLC2A1 P11166 1/20 0.40
ADCY10 Q96PN6 1/20 0.40

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
SCHEMBL859067 0.82 KDM4E (1.00) KDM4EMAPTNPSR1GAAALDH1A1
SCHEMBL15072834 0.82 KDM4E (0.70) KDM4EMAPTNPSR1GAAALDH1A1
SCHEMBL20798092 0.79 KDM4E (0.66) KDM4EMAPTNPSR1GAAALDH1A1
SCHEMBL859623 0.79 ALDH1A1 (0.51) KDM4EMAPTNPSR1GAAALDH1A1
SCHEMBL859601 0.75 NPC1 (0.53) KDM4EMAPTNPSR1GAAALDH1A1
SCHEMBL13325706 0.75 RAB9A (0.61) KDM4EMAPTNPSR1GAAALDH1A1
SCHEMBL5131549 0.74 KDM4E (0.62) KDM4EMAPTNPSR1GAAALDH1A1
SCHEMBL16743431 0.74 KDM4E (0.54) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL14685183 0.72 KDM4E (0.56) KDM4EMAPTNPSR1GAAALDH1A1
SCHEMBL14810321 0.72 KDM4E (0.56) KDM4EMAPTNPSR1GAAALDH1A1

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
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP KDM4E 3841/4885MAPT 385/4885NPSR1 1771/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP KDM4E 3841/4885MAPT 385/4885NPSR1 1771/4885

“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.