SCHEMBL19972043

SCHEMBL19972043

CCc1ccc(CC)c(S)c1N

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CTRC Q99895 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL12797849 0.81 POLB (0.41) POLBHTTGABRA1GABRB2CTRC
SCHEMBL19972040 0.76 PRKCI (0.32) NOS2
SCHEMBL459601 0.74 POLB (0.37) POLBHTTGABRA1GABRB2CTRC
SCHEMBL393531 0.72 POLB (0.35) POLBHTTGABRA1GABRB2CTRC
SCHEMBL15751161 0.71 GABRA1 (0.44) POLBHTTGABRA1GABRB2
SCHEMBL11482002 0.71 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL262868 0.70 GABRA1 (0.55) POLBHTTGABRA1GABRB2
SCHEMBL1332031 0.70 GABRA1 (0.55) POLBHTTGABRA1GABRB2
SCHEMBL5184430 0.70 GABRA1 (0.55) GABRA1GABRB2
SCHEMBL9505579 0.70 GABRA1 (0.54) POLBHTTGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 POLB 2855/4885HTT 3592/4885GABRA1 409/4885

“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.