SCHEMBL14587733

SCHEMBL14587733

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.47
CYP1A2 P05177 1/20 0.45
POLB P06746 2/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
APEX1 P27695 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
MAPT P10636 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL5010906 0.90 NAMPT (0.43) NTRK1CYP1A2HPGDSMN1; SMN2
SCHEMBL14587655 0.86 NPC1 (0.47) NTRK1CYP2C19NPC1RAB9AHPGD
SCHEMBL14587734 0.83 CYP2C19 (0.40) NTRK1POLBCYP2C19NPC1RAB9A
Hydrochloric Acid SCHEMBL5012305 0.82 CYP2C19 (0.40) NTRK1POLBCYP2C19NPC1RAB9A
SCHEMBL5013494 0.81 NTRK1 (0.45) NTRK1POLBCYP2C19NPC1RAB9A
SCHEMBL5013474 0.81 NPC1 (0.47) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL5013385 0.81 CACNA1G (0.48) CYP2C19NPC1RAB9AALDH1A1HTT
SCHEMBL14587671 0.80 SMN1; SMN2 (0.48) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5009767 0.80 CACNA1G (0.47) CYP2C19NPC1RAB9AALDH1A1HTT
SCHEMBL5012135 0.79 NPC1 (0.49) POLBNPC1RAB9AAPEX1HPGD

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 4549/4885CYP1A2 683/4885POLB 3038/4885

“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.