SCHEMBL215711

SCHEMBL215711

N#Cc1ccc(N(c2ccc(C#N)cc2)c2cccc(N(c3ccc(N)cc3)c3ccc(N)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP3A4 P08684 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.38
APP P05067 2/20 0.38
ENPP2 Q13822 2/20 0.38
PGR P06401 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL212777 0.89 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ECYP3A4TDP1
SCHEMBL31257789 0.89 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ECYP3A4TDP1
SCHEMBL211692 0.89 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ECYP3A4TDP1
SCHEMBL28887495 0.89 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ECYP3A4TDP1
SCHEMBL9821741 0.84 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ECYP3A4TDP1
SCHEMBL24864782 0.79 CYP19A1 (0.48) ALDH1A1MAPTKDM4ECYP3A4ENPP2
SCHEMBL13748419 0.78 TSHR (0.59) ALDH1A1MAPTKDM4ECYP3A4TDP1
SCHEMBL151680 0.78 TSHR (0.59) ALDH1A1MAPTKDM4ECYP3A4TDP1
SCHEMBL13748038 0.78 TSHR (0.59) ALDH1A1MAPTKDM4ECYP3A4TDP1
SCHEMBL8849586 0.78 TSHR (0.59) ALDH1A1MAPTKDM4ECYP3A4TDP1

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-8088932-B2 Pentaaryldiamine-containing bismaleimide compound and method of producing the compound INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-03 US disclosed
US-20100168442-A1 PENTAARYLDIAMINE-CONTAINING BISMALEIMIDE COMPOUND AND PRODUCING METHOD THEREOF INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-07-01 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-20100168442-A1 PENTAARYLDIAMINE-CONTAINING BISMALEIMIDE COMPOUND AND PRODUCING METHOD THEREOF ACMSD, ALDH7A1, ADSL ALDH1A1 177/4885MAPT 2469/4885KDM4E 1595/4885

“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.