SCHEMBL8569855

SCHEMBL8569855

Clc1nc2ccccc2n2cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.61
PTPN2 P17706 1/20 0.61
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 5/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
RAD51 Q06609 5/20 0.53
MAPT P10636 2/20 0.53
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3A P46098 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7401133 0.82 PTPN1 (0.54) PTPN1PTPN2KDM4EALDH1A1HPGD
SCHEMBL2460828 0.82 PTPN1 (0.71) PTPN1PTPN2KDM4EALDH1A1HPGD
SCHEMBL1079670 0.79 RAD51 (0.58) PTPN1KDM4EALDH1A1HPGDRAD51
SCHEMBL1309484 0.79 RAD51 (0.58) PTPN1KDM4EALDH1A1HPGDRAD51
SCHEMBL7400768 0.79 HTR3E (0.57) PTPN1PTPN2KDM4EALDH1A1HPGD
SCHEMBL13082235 0.79 RAD51 (0.51) PTPN1PTPN2KDM4EALDH1A1HPGD
SCHEMBL23917098 0.77 PTPN1 (0.53) PTPN1PTPN2KDM4EALDH1A1HPGD
SCHEMBL8570625 0.77 HTR3E (0.55) PTPN1PTPN2KDM4EALDH1A1HPGD
SCHEMBL31377558 0.76 PTPN1 (0.61) PTPN1PTPN2KDM4EALDH1A1HPGD
SCHEMBL24734786 0.76 PTPN1 (0.61) PTPN1PTPN2KDM4EALDH1A1HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
EP-0623620-B1 5-HT3 Pyrrolopyrazine derivatives ADIR (FR) 1998-09-09 EP disclosed
US-5599812-A ANTISEROTONINE AGENTS ADIR ET COMPAGNIE (FR) 1997-02-04 US disclosed
EP-0623620-A1 5-HT3 Pyrrolopyrazine derivatives ADIR ET COMPAGNIE (FR) 1994-11-09 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-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 PTPN1 3434/4885PTPN2 3449/4885KDM4E 3554/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 PTPN1 3434/4885PTPN2 3449/4885KDM4E 3554/4885

“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.