SCHEMBL4187822

SCHEMBL4187822

O=C(Nc1ccc(F)cn1)c1cc(Cl)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.51
CYP3A4 P08684 4/20 0.47
FFAR2 O15552 1/20 0.47
ALOX15 P16050 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
KCNH2 Q12809 1/20 0.46
BRD4 O60885 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL4189252 0.86 ALOX15 (0.58) ALOX15NPC1ALDH1A1PKMTSHR
SCHEMBL4182877 0.83 PTGS1 (0.55) ALOX15NPC1RAB9A
SCHEMBL4256095 0.80 MEN1 (0.64) ALOX15NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4178453 0.79 GAA (0.56) NPC1ALDH1A1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4185825 0.77 GRM5 (0.53) GRM5CYP3A4FFAR2CYP1A2CYP2C9
SCHEMBL4252112 0.76 ALOX15 (0.78) CYP3A4ALOX15CYP1A2CYP2C9
SCHEMBL4250340 0.76 ALOX15 (0.61) ALOX15NPC1ALDH1A1PKMRAB9A
SCHEMBL30761102 0.76 GRM5 (0.53) GRM5CYP3A4FFAR2NPC1ALDH1A1
SCHEMBL30761214 0.74 NPC1 (0.59) GRM5NPC1ALDH1A1PKMRAB9A
SCHEMBL4256925 0.73 NPC1 (0.51) ALOX15NPC1RAB9ASMN1; SMN2

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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B GRM5 1410/4885CYP3A4 89/4885FFAR2 757/4885

“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.