SCHEMBL19971995

SCHEMBL19971995

CCc1cc(CC)c(CC)c(N)c1S

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
DHFR P00374 1/20 0.34
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
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL395350 0.84 HTT (0.41) HTTPOLBDHFRSMN1; SMN2NOS3
SCHEMBL19971997 0.83 HTT (0.39) HTTPOLBDHFRSMN1; SMN2NOS3
SCHEMBL9194864 0.79 SMN1; SMN2 (0.32) DHFRSMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL19972000 0.76 HTT (0.36) HTTPOLBDHFRNOS3NOS1
SCHEMBL393744 0.75 HTT (0.43) HTTPOLBDHFRSMN1; SMN2NOS3
SCHEMBL19972051 0.74 GABRA1 (0.38) HTTPOLBDHFRSMN1; SMN2NOS3
SCHEMBL117142 0.74 HTT (0.46) HTTPOLBDHFRSMN1; SMN2NOS3
SCHEMBL6400103 0.73 POLB (0.38) HTTPOLBDHFRSMN1; SMN2NOS3
SCHEMBL9799254 0.73 POLB (0.38) HTTPOLBDHFRSMN1; SMN2NOS3
SCHEMBL15272 0.71 ALDH1A1 (0.42) HTTPOLBDHFRNOS3NOS1

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.