SCHEMBL19972057

SCHEMBL19972057

CC(C)c1cccc(S)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
LMNA P02545 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL104314 0.85 GABRA1 (0.55) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL30791052 0.82 GABRA1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
Lithium Ion SCHEMBL29536467 0.82 GABRA1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
Hydrochloric Acid SCHEMBL8615487 0.82 GABRA1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL6692957 0.82 GABRA1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
Lithium SCHEMBL30421854 0.82 GABRA1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
Methane SCHEMBL27577653 0.82 GABRA1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL104522 0.78 CYP3A4 (0.48) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL29407112 0.78 CYP3A4 (0.48) GABRA1LMNAGABRG2GABRB3GABRB2
Propane SCHEMBL27557470 0.78 GABRA1 (0.48) GABRA1LMNAGABRG2GABRB3GABRB2

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 GABRA1 409/4885LMNA 3051/4885GABRG2 1288/4885

“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.