SCHEMBL4198306

SCHEMBL4198306

N#Cc1cc(Cl)ccc1NC(=O)c1cc[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 1/20 0.43
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.37
APAF1 O14727 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL4196298 0.90 ALDH1A1 (0.46) ALOX15CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27863585 0.82 GAA (0.52) ALOX15ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4198230 0.82 ALOX15 (0.63) ALOX15CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4199011 0.80 NPC1 (0.53) ALOX15CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4195751 0.79 MEN1 (0.53) ALOX15CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4198299 0.78 KCNMA1 (0.59) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4293229 0.75 KDM4E (0.48) ALOX15MAOBALDH1A1KDM4EGAA
SCHEMBL13102688 0.75 KCNMA1 (0.60) ALOX15ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL404789 0.75 HPGD (0.47) ALOX15ALDH1A1KDM4EGAAHSD17B10
SCHEMBL6177644 0.74 KDM4E (0.57) ALOX15ALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088463-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-04-02 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 (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-20090088463-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX5, ALOX15B ALOX15 1/4885CYP1A2 32/4885CYP3A4 81/4885

“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.