SCHEMBL4580067

SCHEMBL4580067

CCOC(=O)C=Cc1cn(C#N)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41
RASGRP3 Q8IV61 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL2134416 0.82 MEN1 (0.61) ATMMAPTALDH1A1NPC1RAB9A
SCHEMBL2047816 0.80 MEN1 (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10629344 0.78 BACE1 (0.58) ATMMAPTALDH1A1KDM4EMEN1
SCHEMBL10629219 0.78 BACE1 (0.58) ATMMAPTALDH1A1KDM4EMEN1
SCHEMBL6853096 0.75 CA12 (0.54) ATMMAPTNPC1RAB9AKDM4E
SCHEMBL11218812 0.75 CA12 (0.54) ATMMAPTNPC1RAB9AKDM4E
SCHEMBL5805792 0.75 L3MBTL1 (0.60) ATMMAPTALDH1A1NPC1RAB9A
SCHEMBL5805797 0.75 L3MBTL1 (0.60) ATMMAPTALDH1A1NPC1RAB9A
SCHEMBL7163551 0.75 LMNA (0.47) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL8168163 0.74 DNTT (0.54) ATMMAPTALDH1A1KDM4EMEN1

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-20080300161-A1 Ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylis acids SCHULTZ ALFRED K 2008-12-04 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-20080300161-A1 Ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylis acids PHOSPHO1, PTDSS1, SELENOI ATM 1362/4885MAPT 3922/4885ALDH1A1 3158/4885

“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.