SCHEMBL2697301

SCHEMBL2697301

CC(=O)NCc1ccc(CN=C=O)cc1C.CC(=O)NCc1ccc(CN=C=O)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 3/20 0.38
CD274 Q9NZQ7 1/20 0.35
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
AR P10275 1/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.32
RORC P51449 1/20 0.32
POLB P06746 1/20 0.32
KLKB1 P03952 1/20 0.31

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
SCHEMBL855405 0.95 SETDB1 (0.41) SETDB1CD274RECQLALDH1A1MAPT
SCHEMBL861177 0.90 KMT2A (0.40) SETDB1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL2697304 0.90 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4ERAB9ANPC1
SCHEMBL855039 0.78 KMT2A (0.38) SETDB1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL853998 0.78 BDKRB1 (0.44) SETDB1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL28945087 0.78 KDM4E (0.44) ALDH1A1MAPTKDM4E
SCHEMBL855591 0.78 SETDB1 (0.40) SETDB1CD274ALDH1A1MAPTKMT2A
SCHEMBL11159589 0.72 MIF (0.34)
SCHEMBL24185372 0.72 NOS2 (0.47) ALDH1A1MAPTKMT2AKDM4EHDAC1
SCHEMBL28786869 0.68 KDM4E (0.46) ALDH1A1MAPTKDM4E

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-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 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-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 SETDB1 4416/4885CD274 4331/4885RECQL 2097/4885

“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.