SCHEMBL4199019

SCHEMBL4199019

O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1cc[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GAA P10253 3/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
KDR P35968 2/20 0.47
EPHB4 P54760 2/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.41
TEK Q02763 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KCNK2 O95069 1/20 0.40
KCNK10 P57789 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL4193567 0.81 IDH1 (0.46) GAAPOLBKDREPHB4TEK
SCHEMBL29699750 0.79 NPC1 (0.60) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL4191839 0.77 PYGL (0.39) KDRDHODHRXFP1BRAFALOX15
SCHEMBL9475099 0.76 POLB (0.65) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL5660190 0.73 THRB (0.61) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL4610185 0.71 PDK1 (0.60) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL2539977 0.71 ALDH1A1 (0.58) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL4201444 0.71 ALOX15 (0.51) MAPTSMN1; SMN2RAB9AKDM4EHTT
SCHEMBL21885673 0.71 ALDH1A1 (0.58) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL4197851 0.71 POLB (0.46) ALDH1A1GAAPOLBSMN1; SMN2NPC1

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 6 patents. 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
EP-1943225-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-16 EP disclosed
WO-2007052000-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-05-10 WO disclosed
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US disclosed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 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 (2 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 ALDH1A1 538/4885GAA 1778/4885POLB 2613/4885
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B ALDH1A1 763/4885GAA 3175/4885POLB 2660/4885

“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.