SCHEMBL19971997

SCHEMBL19971997

CCc1cc(CC)c(CC)c(S)c1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
DHFR P00374 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL9194864 0.84 SMN1; SMN2 (0.32) DHFRSMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL19971995 0.83 HTT (0.35) HTTPOLBDHFRALDH1A1MAPT
SCHEMBL393744 0.79 HTT (0.43) HTTPOLBDHFRALDH1A1MAPT
SCHEMBL117142 0.79 HTT (0.46) HTTPOLBDHFRALDH1A1MAPT
SCHEMBL395350 0.79 HTT (0.41) HTTPOLBDHFRALDH1A1MAPT
SCHEMBL19972000 0.76 HTT (0.36) HTTPOLBDHFRALDH1A1MAPT
SCHEMBL687567 0.74 HTT (0.39) HTTPOLBDHFRALDH1A1MAPT
SCHEMBL1334752 0.74 HTT (0.39) HTTPOLBDHFRALDH1A1MAPT
SCHEMBL27612200 0.73 HTT (0.50) HTTPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL1334971 0.73 HTT (0.42) HTTPOLBDHFRALDH1A1MAPT

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 2855/4885DHFR 43/4885

“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.