SCHEMBL5010372

SCHEMBL5010372

COC(=O)c1ccc(NCC(=O)c2cc(N)[nH]n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
AGTR1 P30556 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HKDC1 Q2TB90 1/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 3/20 0.41
CA7 P43166 2/20 0.41
FLT3 P36888 1/20 0.41
TP53 P04637 1/20 0.41
CA9 Q16790 2/20 0.40

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
SCHEMBL1009738 0.74 MAPK1 (0.65) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5010375 0.73 NOTUM (0.47) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL14785045 0.73 MAPK1 (0.62) RAB9ANPC1MAPTKDM4EMEN1
Ammonia Solution, Strong SCHEMBL1009944 0.73 MAPK1 (0.62) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL7063998 0.72 MAPT (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2CA1
SCHEMBL11718244 0.70 RAB9A (0.71) ALDH1A1RAB9ANPC1HPGDAGTR1
SCHEMBL7140531 0.69 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1HPGDAGTR1
Hydrochloric Acid SCHEMBL1624734 0.69 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1HPGDAGTR1
SCHEMBL25046258 0.68 POLB (0.66) ALDH1A1RAB9ANPC1HPGDAGTR1
SCHEMBL15997233 0.67 CA1 (0.75) ALDH1A1RAB9ANPC1HPGDAGTR1

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
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP 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 ALDH1A1 1278/4885RAB9A 2748/4885NPC1 2838/4885

“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.