SCHEMBL4115232

SCHEMBL4115232

CNCc1ccc(Br)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.45
HTR2A P28223 3/20 0.45
KCNH2 Q12809 3/20 0.45
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.35
MAPT P10636 2/20 0.34
CTSL P07711 1/20 0.34
CTSK P43235 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL27647093 0.84 SLC6A4 (0.45) SLC6A4HTR2AKCNH2HRH3ALDH1A1
SCHEMBL4123546 0.81 CCR5 (0.44) SLC6A4ALDH1A1CYP1A2SLC6A2MAPT
SCHEMBL6336485 0.79 GAA (0.44) SLC6A4HTR2AKCNH2ALDH1A1CYP1A2
SCHEMBL28879829 0.79 SLC6A4 (0.47) SLC6A4HTR2AKCNH2HRH3ALDH1A1
SCHEMBL30673419 0.79 KDM4E (0.42) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL560494 0.79 KDM4E (0.42) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL8164579 0.78 SLC6A4 (0.46) SLC6A4HTR2AKCNH2HRH3ALDH1A1
SCHEMBL29418481 0.78 SLC6A4 (0.46) SLC6A4HTR2AKCNH2HRH3ALDH1A1
Hydrochloric Acid SCHEMBL6346253 0.78 MAPT (0.42) SLC6A4HTR2AKCNH2ALDH1A1CYP1A2
SCHEMBL29429850 0.76 ALDH1A1 (0.39) HTR2AALDH1A1CYP1A2ALOX15CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168644-B2 Quinazolinone derivatives as tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-01 US disclosed
US-8168644-B2 Quinazolinone derivatives as tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-01 US disclosed
US-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-03 US disclosed
US-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-03 US disclosed
WO-2009118384-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-10-01 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 (1 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-20110028433-A1 QUINAZOLINONE DERIVATIVES AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB1, TUBA1C SLC6A4 3524/4885HTR2A 4125/4885KCNH2 2494/4885

“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.