SCHEMBL3453105

SCHEMBL3453105

CC(C)c1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.63
KDM1A O60341 14/20 0.62
MAOA P21397 8/20 0.60
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL3451075 0.87 KDM1A (0.83) KDM1AMAOANPSR1
SCHEMBL3452443 0.85 KDM1A (0.81) KDM1AMAOA
SCHEMBL8355378 0.84 KDM1A (0.76) ABL1KDM1AMAOANPSR1
SCHEMBL3451888 0.84 NPSR1 (0.76) KDM1AMAOANPSR1
SCHEMBL13109403 0.84 KDM1A (0.76) KDM1AMAOANPSR1
SCHEMBL3455591 0.83 KDM1A (0.75) KDM1AMAOANPSR1
SCHEMBL3452207 0.82 KDM1A (0.62) KDM1AMAOA
SCHEMBL13109404 0.82 KDM1A (0.78) KDM1AMAOA
SCHEMBL3453672 0.82 MAPT (0.69) KDM1AMAOANPSR1
SCHEMBL3452766 0.81 KDM1A (0.61) KDM1AMAOANPSR1

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R ABL1 1310/4885KDM1A 2868/4885MAOA 211/4885

“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.