SCHEMBL14587722

SCHEMBL14587722

O=C(NCc1ccccn1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 4/20 0.53
RAB9A P51151 1/20 0.51
PPARG P37231 1/20 0.50
NPC1 O15118 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL14587666 0.90 ALDH1A1 (0.57) NTRK1ALDH1A1HPGDRAB9APPARG
SCHEMBL14587693 0.86 RAB9A (0.46) NTRK1ALDH1A1HPGDRAB9APPARG
SCHEMBL14587681 0.86 NTRK1 (0.51) NTRK1ALDH1A1RAB9APPARGNPC1
SCHEMBL5010405 0.85 PPARG (0.59) NTRK1ALDH1A1RAB9APPARGNPC1
SCHEMBL14587772 0.85 ALDH1A1 (0.43) NTRK1ALDH1A1RAB9APPARGNPC1
SCHEMBL14587703 0.85 MEN1 (0.47) NTRK1ALDH1A1PPARG
SCHEMBL14587705 0.85 MEN1 (0.47) NTRK1ALDH1A1PPARG
SCHEMBL5010568 0.85 NPC1 (0.46) ALDH1A1RAB9APPARGNPC1CYP1A2
SCHEMBL5008267 0.85 PPARG (0.45) NTRK1ALDH1A1HPGDRAB9APPARG
SCHEMBL14587696 0.84 ADORA2A (0.43) NTRK1ALDH1A1RAB9APPARGNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NTRK1 4549/4885ALDH1A1 1278/4885HPGD 3765/4885

“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.