SCHEMBL16264685

SCHEMBL16264685

CC(=O)c1ccc2c(n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 5/20 0.49
MAPT P10636 5/20 0.49
DHFR P00374 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
C5AR1 P21730 1/20 0.46

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
SCHEMBL721096 0.90 KMT2A (0.57) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL17985018 0.89 KMT2A (0.56) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL10209789 0.87 NPC1 (0.52) KMT2ANPC1RAB9AMEN1TP53
Hydrochloric Acid SCHEMBL720333 0.86 NPC1 (0.51) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL10224092 0.85 RAB9A (0.53) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL19664789 0.83 KMT2A (0.51) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL19664788 0.83 KMT2A (0.51) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL19674797 0.83 NPC1 (0.48) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL17984862 0.82 MEN1 (0.55) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL17984866 0.81 NPC1 (0.47) KMT2ANPC1RAB9AMEN1TP53

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-9162983-B2 Reactivators of organophosphorous inhibited acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2015-10-20 US disclosed
US-20140350262-A1 Reactivators Of Organophosphorous Inhibited Acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2014-11-27 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-20140350262-A1 Reactivators Of Organophosphorous Inhibited Acetylcholinesterase ACHE, BCHE, CHAT KMT2A 1110/4885NPC1 2387/4885RAB9A 1848/4885

“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.