SCHEMBL19972039

SCHEMBL19972039

Cc1cc(C)c(N)c(S)c1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL28126708 0.86 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL28716253 0.82 ALDH1A1 (0.42) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL1610330 0.80 CYP3A4 (0.33) CYP3A4TSHRMAPK1
SCHEMBL19972015 0.79 CYP3A4 (0.38) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL28370423 0.76 TSHR (0.46) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL28243411 0.76 TSHR (0.46) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL24522014 0.75 CYP3A4 (0.30) CYP3A4TSHRMAPK1
SCHEMBL394882 0.75 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL29738345 0.75 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL2131880 0.75 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1TP53TDP1

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 933/4885TSHR 4030/4885ALDH1A1 544/4885

“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.