SCHEMBL10147900

SCHEMBL10147900

CCC(NC(=O)c1ccccc1)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 2/20 0.55
CTRB1 P17538 4/20 0.50
PRSS1 P07477 2/20 0.50
CTSG P08311 2/20 0.50
CMA1 P23946 2/20 0.50
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11355997 0.94 RAB9A (0.66) ALDH1A1RAB9ACTRB1PRSS1CTSG
SCHEMBL27709158 0.85 ALDH1A1 (0.47) ALDH1A1RAB9ACTRB1PRSS1CTSG
SCHEMBL10718771 0.79 RAB9A (0.53) ALDH1A1RAB9AKDM4EATMLMNA
SCHEMBL15146792 0.78 HTT (0.68) ALDH1A1RAB9ACTRB1PRSS1CTSG
SCHEMBL628141 0.77 KDM4E (0.53) ALDH1A1KDM4EHPGDTDP1LMNA
SCHEMBL799431 0.77 RAB9A (0.87) ALDH1A1RAB9ACTRB1PRSS1CTSG
SCHEMBL2443715 0.77 ALDH1A1 (0.60) ALDH1A1RAB9ACTRB1PRSS1CTSG
SCHEMBL8507346 0.77 RAB9A (0.87) ALDH1A1RAB9ACTRB1PRSS1CTSG
SCHEMBL8526512 0.77 RAB9A (0.87) ALDH1A1RAB9ACTRB1PRSS1CTSG
SCHEMBL10478078 0.77 RAB9A (0.60) ALDH1A1RAB9ACTRB1PRSS1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114870-B2 Method of treating disease states using substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-20110318393-A1 Substituted Pyrazole Compounds MIIKANA THERAPEUTICS, INC. (US) 2011-12-29 US disclosed
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-10-22 US disclosed
US-7563787-B2 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2009-07-21 US disclosed
US-20090029992-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-01-29 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 (3 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-20110318393-A1 Substituted Pyrazole Compounds AURKA, AURKC, AURKB ALDH1A1 3976/4885RAB9A 2298/4885CTRB1 3939/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB ALDH1A1 2876/4885RAB9A 2328/4885CTRB1 2670/4885
US-20090029992-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB ALDH1A1 3400/4885RAB9A 2145/4885CTRB1 3147/4885

“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.