SCHEMBL425991

SCHEMBL425991

Cc1nc(-c2ccccc2)cn1C(=O)N1COCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 7/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
HPGD P15428 6/20 0.40
HSD17B10 Q99714 4/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 2/20 0.40
GLA P06280 2/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
POLB P06746 3/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 5/20 0.39
TP53 P04637 4/20 0.39
NPC1 O15118 4/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CNR2 P34972 5/20 0.38
THRB P10828 1/20 0.36

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
SCHEMBL427876 0.74 CNR2 (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL427458 0.70 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL7898244 0.70 KMO (0.38) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL425714 0.68 CYP2A6 (0.46) HPGDCYP2C9CYP2C19PKM
SCHEMBL427535 0.68 CNR2 (0.35) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL424689 0.67 KCNMA1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL10029679 0.66 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL427956 0.65 TP53 (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL8171427 0.65 CYP2C19 (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL427620 0.65 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 ALDH1A1 294/4885KDM4E 1982/4885SMN1; SMN2 2818/4885

“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.