SCHEMBL10039155

SCHEMBL10039155

Cc1ccc(-c2noc(C(=O)N(C)C3CCCC3)c2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.58
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TRPV1 Q8NER1 3/20 0.44
GPBAR1 Q8TDU6 2/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 2/20 0.41
CNR1 P21554 2/20 0.41

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
SCHEMBL2118738 0.87 TRPV1 (0.59) S1PR1ALDH1A1LMNAHTTPOLB
SCHEMBL20460529 0.70 POLB (0.60) S1PR1ALDH1A1LMNAPOLBNPC1
SCHEMBL7044199 0.69 S1PR1 (0.52) S1PR1ALDH1A1LMNAHTTPOLB
SCHEMBL8130980 0.69 POLB (0.62) S1PR1ALDH1A1LMNAPOLBNPC1
SCHEMBL10039160 0.68 TRPV1 (0.55) S1PR1POLBNPC1RAB9ATRPV1
SCHEMBL18924426 0.66 L3MBTL1 (0.59) ALDH1A1POLBNPC1RAB9AHPGD
SCHEMBL2118906 0.65 TRPV1 (0.82) TRPV1
SCHEMBL27971824 0.65 GPBAR1 (0.40) ALDH1A1LMNANPC1RAB9ATRPV1
SCHEMBL10039159 0.64 GABRA5 (0.48) POLBNPC1RAB9ATRPV1GPBAR1
SCHEMBL21107100 0.64 SLCO1B1 (0.50) S1PR1ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, P2RX5 S1PR1 2718/4885ALDH1A1 821/4885LMNA 4013/4885

“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.