SCHEMBL9102585

SCHEMBL9102585

[c]1nnc(CCc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SRC P12931 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 3/20 0.37
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL796085 0.82 ALDH1A1 (0.47) ATMALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL20266311 0.73 ATM (0.74) ATMALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8626433 0.69
SCHEMBL1028444 0.69
Benzene SCHEMBL3440179 0.68 ALDH1A1 (0.69) ATMALDH1A1HPGDSMN1; SMN2KCNH2
SCHEMBL9741303 0.68 ALDH1A1 (0.69) ATMALDH1A1HPGDSMN1; SMN2KCNH2
SCHEMBL62125 0.68 ALDH1A1 (0.69) ATMALDH1A1HPGDSMN1; SMN2KCNH2
SCHEMBL11446805 0.67 LMNA (0.46) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL20631828 0.65 ATM (0.62) ATMALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL25402413 0.65 ALDH1A1 (0.65) ATMALDH1A1HPGDSMN1; SMN2KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 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-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS ATM 4098/4885ALDH1A1 1109/4885HPGD 1019/4885

“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.