SCHEMBL1309484

SCHEMBL1309484

Fc1ccc2c(c1)nc(Cl)[13c]1cccn21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.58
HTR3E A5X5Y0 5/20 0.56
HTR3B O95264 5/20 0.56
HTR3A P46098 5/20 0.56
HTR3D Q70Z44 5/20 0.56
HTR3C Q8WXA8 5/20 0.56
HTR1A P08908 1/20 0.47
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL1079670 1.00 RAD51 (0.58) RAD51HTR3EHTR3BHTR3AHTR3D
SCHEMBL7401133 0.83 PTPN1 (0.54) RAD51HTR3EHTR3BHTR3AHTR3D
SCHEMBL7400768 0.81 HTR3E (0.57) RAD51HTR3EHTR3BHTR3AHTR3D
SCHEMBL13082235 0.81 RAD51 (0.51) RAD51HTR3EHTR3BHTR3AHTR3D
SCHEMBL8569855 0.79 PTPN1 (0.61) RAD51HTR3EHTR3BHTR3AHTR3D
SCHEMBL7400933 0.77 RAD51 (0.61) RAD51HTR3EHTR3BHTR3AHTR3D
SCHEMBL3789425 0.77 KDM4E (0.61) RAD51HTR3EHTR3BHTR3AHTR3D
SCHEMBL27077503 0.75 PTPN1 (0.43) RAD51HTR3EHTR3BHTR3AHTR3D
SCHEMBL20816302 0.74 RAD51 (1.00) RAD51HTR3EHTR3BHTR3AHTR3D
SCHEMBL27693898 0.73 HTR3E (0.55) RAD51HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-11-10 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 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-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-10-19 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-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG RAD51 1982/4885HTR3E 1190/4885HTR3B 1724/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 RAD51 1879/4885HTR3E 1388/4885HTR3B 2016/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 RAD51 1879/4885HTR3E 1388/4885HTR3B 2016/4885
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, MCL1 RAD51 1879/4885HTR3E 1388/4885HTR3B 2016/4885

“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.