SCHEMBL15093017

SCHEMBL15093017

Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.67
TSHR P16473 3/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
KDM4E B2RXH2 2/20 0.56
MAPT P10636 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL28347955 0.95 USP2 (0.61) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL10014710 0.92 USP2 (0.76) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL2240063 0.91 ALDH1A1 (0.74) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL5958827 0.84 TSHR (0.69) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3190265 0.84 CA1 (0.65) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3201450 0.84 CA1 (0.65) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3190257 0.84 CA1 (0.65) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL4590679 0.84 CA1 (0.65) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL5922804 0.84 USP2 (0.65) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3201440 0.84 CA1 (0.65) USP2TSHRCYP3A4CYP2C19NPSR1

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
US-9023340-B2 Wnt inhibitors for human stem cell differentiation CHEMREGEN, INC. (US) 2015-05-05 US disclosed
US-20130177535-A1 WNT INHIBITORS FOR HUMAN STEM CELL DIFFERENTIATION CHEMREGEN, INC 2013-07-11 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-20130177535-A1 WNT INHIBITORS FOR HUMAN STEM CELL DIFFERENTIATION WNT3A, WNT1, WNT3 USP2 3943/4885TSHR 3660/4885CYP3A4 4481/4885

“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.