SCHEMBL19972005

SCHEMBL19972005

CC(C)c1cccc(N)c1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
GABRA1 P14867 3/20 0.44
TSHR P16473 3/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRB2 P47870 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
LMNA P02545 2/20 0.44
FAAH O00519 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GABRB1 P18505 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL3191750 0.83 GABRA1 (0.55) CYP3A4GABRA1TSHRGABRG2GABRB3
SCHEMBL1967519 0.78 GABRA1 (0.50) CYP3A4GABRA1TSHRGABRG2GABRB3
SCHEMBL104522 0.76 CYP3A4 (0.48) CYP3A4GABRA1TSHRGABRG2GABRB3
SCHEMBL29407112 0.76 CYP3A4 (0.48) CYP3A4GABRA1TSHRGABRG2GABRB3
SCHEMBL104513 0.75 GABRA1 (0.50) CYP3A4GABRA1TSHRGABRG2GABRB3
SCHEMBL30223644 0.75 GABRA1 (0.50) CYP3A4GABRA1TSHRGABRG2GABRB3
SCHEMBL141144 0.74 CYP3A4 (0.46) CYP3A4GABRA1TSHRGABRG2GABRB3
SCHEMBL6406528 0.74 CYP3A4 (0.59) CYP3A4GABRA1TSHRGABRG2GABRB3
SCHEMBL16497594 0.74 CYP3A4 (0.46) CYP3A4GABRA1TSHRGABRG2GABRB3
SCHEMBL26049555 0.74 TSHR (0.46) CYP3A4GABRA1TSHRGABRG2GABRB3

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-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

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 CYP3A4 933/4885GABRA1 409/4885TSHR 4030/4885

“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.