SCHEMBL12269937

SCHEMBL12269937

CCOc1ccc(-c2ccc(C)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.54
▸ CYP19A1 P11511 2/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ XDH P47989 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ RAB9A P51151 4/20 0.45

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
SCHEMBL16479572 0.85 CYP2D6 (0.66) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2669046 0.84 NQO1 (0.56) NQO1CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL17795380 0.82 CYP2D6 (0.62) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18417193 0.81 NQO1 (0.82) NQO1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9155582 0.81 NQO1 (0.82) NQO1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17051516 0.81 HPGDS (0.54) NPC1RAB9A
SCHEMBL5833291 0.81 NQO1 (0.82) NQO1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13173483 0.81 PIK3CD (0.49) CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL3265456 0.80 DYRK1A (0.56) KDM4ENPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL10461821 0.79 NQO1 (0.52) NQO1CYP19A1CYP11B1CYP11B2CYP3A4

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-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 — — US disclosed
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 — — US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 — — US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 — — 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-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MET, ALK, REL NQO1 842/4885CYP19A1 1494/4885CYP11B1 145/4885

“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.

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