SCHEMBL15904232

SCHEMBL15904232

CC(C)C(=O)NCCOc1cc[c]cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
NPC1 O15118 6/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL15904696 0.95 L3MBTL1 (0.49) ALDH1A1NPSR1MTNR1AMTNR1BNPC1
SCHEMBL14368086 0.84 MTNR1A (0.68) ALDH1A1NPSR1MTNR1AMTNR1BNPC1
SCHEMBL693211 0.82 MTNR1A (0.70) ALDH1A1MTNR1AMTNR1BNPC1USP2
SCHEMBL7559918 0.81 TDP1 (0.51) ALDH1A1NPSR1MTNR1AMTNR1BNPC1
SCHEMBL4001304 0.81 MTNR1A (0.53) ALDH1A1NPSR1MTNR1AMTNR1BNPC1
SCHEMBL15904113 0.79 RECQL (0.65) ALDH1A1MTNR1AMTNR1BNPC1USP2
SCHEMBL1416388 0.78 MTNR1A (0.50) MTNR1AMTNR1BNPC1USP2ALOX15
SCHEMBL3167226 0.78 L3MBTL1 (0.71) ALDH1A1MTNR1AMTNR1BUSP2ALOX15
SCHEMBL7558277 0.77 ALDH1A1 (0.60) ALDH1A1NPSR1NPC1L3MBTL1KMT2A
SCHEMBL15904295 0.76 MTNR1A (0.45) ALDH1A1MTNR1AMTNR1BNPC1USP2

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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885NPSR1 2998/4885MTNR1A 315/4885

“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.