SCHEMBL19972023

SCHEMBL19972023

CCc1cc(S)c(N)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
BACE1 P56817 1/20 0.33
HSPA5 P11021 1/20 0.33
DHFR P00374 3/20 0.32
PTGS2 P35354 1/20 0.31
CA2 P00918 1/20 0.30
AR P10275 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
SCHEMBL112571 0.85 HTT (0.52) HTTPOLBMEN1GAAKMT2A
SCHEMBL10824494 0.79 HTT (0.47) HTTPOLBMEN1GAAKMT2A
SCHEMBL11803532 0.79 HTT (0.42) HTTPOLBMEN1GAAKMT2A
SCHEMBL9853387 0.77 ALDH1A1 (0.50) HTTPOLBMEN1GAAKMT2A
SCHEMBL24629974 0.77 ALDH1A1 (0.39) HTTPOLBMEN1KMT2AALDH1A1
SCHEMBL9190577 0.77 DHFR (0.35) MEN1GAAKMT2AHSPA5DHFR
SCHEMBL1187136 0.76 TRPA1 (0.45) HTTPOLBMEN1GAAKMT2A
SCHEMBL13804214 0.76 HTT (0.39) HTTPOLBMEN1GAAKMT2A
SCHEMBL23838393 0.75 HSPA5 (0.38) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL9861293 0.75 AR (0.43) HTTPOLBMEN1GAAKMT2A

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 HTT 3592/4885POLB 2855/4885MEN1 1436/4885

“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.