SCHEMBL20173613

SCHEMBL20173613

CN(c1ccc(F)cc1)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
NSD2 O96028 2/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PTGS1 P23219 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
APP P05067 2/20 0.40
RORC P51449 3/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AR P10275 1/20 0.37

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
SCHEMBL8550513 0.89 CYP2A6 (0.52) KDM4EMAOAMAOBCYP2A6ALDH1A1
SCHEMBL20650048 0.83 KDM4E (0.48) KDM4ETP53NSD2MAOAMAOB
SCHEMBL13338132 0.82 APP (0.52) KDM4EALDH1A1APPCA2CA9
Water SCHEMBL28049243 0.82 KDM4E (0.64) KDM4ETP53NSD2MAOAMAOB
SCHEMBL39936 0.82
SCHEMBL12444126 0.82
SCHEMBL20800876 0.81 ALDH1A1 (0.70) KDM4ECYP2A6ALDH1A1ABCG2APP
SCHEMBL149439 0.81 TSHR (0.54) MAOAMAOBCYP2A6ALDH1A1ABCG2
SCHEMBL5991721 0.81 KDM4E (0.50) KDM4ETP53NSD2MAOAMAOB
SCHEMBL31473441 0.79 ALDH1A1 (0.37) KDM4ETP53NSD2MAOAMAOB

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 KDM4E 1258/4885TP53 4582/4885NSD2 179/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 KDM4E 517/4885TP53 1847/4885NSD2 714/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 KDM4E 1258/4885TP53 4582/4885NSD2 179/4885

“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.