SCHEMBL395103

SCHEMBL395103

N#CCC(=O)c1ccc(C(=O)CC#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.48
CYP19A1 P11511 2/20 0.43
MCL1 Q07820 3/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
KCNH2 Q12809 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 2/20 0.41
PTPN1 P18031 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CES1 P23141 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL14918493 0.91 TSHR (0.52) GSK3BALOX15CES1SMN1; SMN2ALDH1A1
SCHEMBL11770219 0.91 CYP19A1 (0.57) CYP19A1MCL1MAPTKDM4EGAA
SCHEMBL28537498 0.89 KMT2A (0.48) GSK3BMAPTGAAMEN1KMT2A
SCHEMBL1568921 0.89 GSK3B (0.57) GSK3BMAPTGAAKCNH2RECQL
SCHEMBL30737542 0.89 PARP10 (0.46) GSK3BMCL1MAPTKMT2ARECQL
SCHEMBL138022 0.89 GSK3B (0.57) GSK3BMAPTKDM4EKCNH2NPC1
SCHEMBL133680 0.89 NPC1 (0.55) GSK3BMAPTMEN1KMT2APTPN1
SCHEMBL8610853 0.89 CYP19A1 (0.51) GSK3BCYP19A1MCL1MAPTKDM4E
SCHEMBL135383 0.89 GSK3B (0.55) GSK3BMAPTGAAKCNH2MEN1
SCHEMBL3659298 0.89 TPMT (0.46) GSK3BCYP19A1MAPTKDM4EGAA

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-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 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-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND SLCO4C1, SLCO1B1, SLCO2B1 GSK3B 2732/4885CYP19A1 1973/4885MCL1 3334/4885

“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.