SCHEMBL5535003

SCHEMBL5535003

COC(=O)c1ccc(C(=O)NCCCCC#N)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 2/20 0.55
GLA P06280 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
ATM Q13315 1/20 0.55
POLB P06746 2/20 0.47
ABL1 P00519 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CFTR P13569 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL2315291 0.81 HPGD (0.65) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL2311926 0.73 KDM4E (0.75) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL14880022 0.73 KDM4E (0.75) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL29358 0.73 KDM4E (1.00) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL28871839 0.73 KDM4E (0.60) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL4649198 0.72 HDAC3 (0.57) ALDH1A1KDM4EGAAMAPTATM
Hydrochloric Acid SCHEMBL2278703 0.71 KDM4E (0.96) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL2894921 0.71 ABL1 (0.59) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL2897660 0.71 ABL1 (0.56) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL17667405 0.70 SMYD3 (0.50) KDM4EHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 ALDH1A1 4185/4885KDM4E 3685/4885GAA 2573/4885

“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.