SCHEMBL4201444

SCHEMBL4201444

O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.51
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.42
S1PR3 Q99500 1/20 0.42
HTT P42858 1/20 0.41
GRM4 Q14833 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL4202584 0.83 RAB9A (0.51) ALOX15RAB9ACYP1A2CYP2C19KDM4E
SCHEMBL4186735 0.82 ALOX15 (0.65) ALOX15CYP1A2CYP2C19GRM4TP53
SCHEMBL18939276 0.82 HTT (0.56) RAB9AKDM4EHTTTP53MAPT
SCHEMBL169574 0.81 ALOX15 (0.47) ALOX15RAB9ACYP1A2CYP2C19KDM4E
SCHEMBL30917977 0.79 CHRM3 (0.46) ALOX15MAPT
SCHEMBL29198676 0.79 CHRM3 (0.46) ALOX15MAPT
SCHEMBL4203660 0.76 TMPRSS4 (0.56) LMNA
SCHEMBL20560635 0.75 RAB9A (0.49) ALOX15RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL168618 0.74 MEN1 (0.63) RAB9AKDM4EHTTMAPTSMN1; SMN2
SCHEMBL4197851 0.73 POLB (0.46) RAB9AHTTTP53SMN1; 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-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 1/4885RAB9A 3897/4885CYP1A2 32/4885

“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.