SCHEMBL7921086

SCHEMBL7921086

Cc1cc2c(cn1)SC(C)C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33
UHRF1 Q96T88 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7923077 0.85 KDM4E (0.33) CHRNA7KDM4EALDH1A1HPGDKLK7
SCHEMBL7922281 0.69 ACHE (0.38) KDM4EALDH1A1HPGDKLK7CYP1A2
SCHEMBL9909845 0.68 CHRNA7 (0.38) CHRNA7UHRF1CYP1A2CYP2A6
SCHEMBL7920684 0.67 CCR1 (0.31)
SCHEMBL7921119 0.67 KDM4E (0.33) KDM4EALDH1A1HPGDKLK7BRD4
SCHEMBL7914318 0.65 ACHE (0.42) KDM4EALDH1A1HPGDKLK7CYP1A2
SCHEMBL13363873 0.64 BRD4 (0.32) KDM4EALDH1A1HPGDKLK7BRD4
SCHEMBL7914392 0.63 UHRF1 (0.31) CHRNA7ALDH1A1UHRF1CYP1A2CYP2A6
SCHEMBL14525626 0.63 CHRNA7 (0.44) CHRNA7KDM4EALDH1A1UHRF1CYP1A2
SCHEMBL7923071 0.63 NNMT (0.40) CHRNA7UHRF1CYP1A2CYP2A6BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
WO-2012074126-A9 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-06 WO disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
WO-2012074126-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 WO disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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 (2 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CHRNA7 3011/4885KDM4E 1415/4885ALDH1A1 762/4885
US-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 CHRNA7 3321/4885KDM4E 1862/4885ALDH1A1 172/4885

“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.