SCHEMBL6937899

SCHEMBL6937899

N#Cc1ccc(CC(=O)Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.59
LOXL2 Q9Y4K0 2/20 0.52
CYP2A6 P11509 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
HTT P42858 1/20 0.52
GSK3B P49841 2/20 0.48
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
MAPK8 P45983 1/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
IDO1 P14902 2/20 0.46
FFAR1 O14842 1/20 0.44
RAB9A P51151 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL9641208 0.92 CTBP2 (0.57) CTBP2SAE1UBA2HTTFFAR1
SCHEMBL9190571 0.90 NSD2 (0.55) CTBP2LOXL2CYP2A6SAE1UBA2
SCHEMBL13483247 0.90 CTBP2 (0.54) CTBP2LOXL2CYP2A6SAE1UBA2
SCHEMBL16887632 0.88 CYP2A6 (0.55) CTBP2LOXL2CYP2A6SAE1UBA2
SCHEMBL12374116 0.88 CTBP2 (0.53) CTBP2LOXL2CYP2A6SAE1UBA2
SCHEMBL28162772 0.87 CTBP2 (0.49) CTBP2LOXL2CYP2A6SAE1UBA2
SCHEMBL10275551 0.86 CTBP2 (0.56) CTBP2LOXL2CYP2A6SAE1UBA2
SCHEMBL19798045 0.86 NSD2 (0.51) CTBP2SAE1UBA2HTTFFAR1
SCHEMBL28399752 0.85 CTBP2 (0.50) CTBP2LOXL2CYP2A6SAE1UBA2
SCHEMBL335492 0.84 CTBP2 (0.62) CTBP2LOXL2CYP2A6SAE1UBA2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object CANON KABUSHIKI KAISHA (JP) 2022-06-28 US disclosed
US-20210139417-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2021-05-13 US disclosed
US-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2020-02-13 US disclosed
US-9472766-B2 Fused polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2016-10-18 US disclosed
US-9472766-B2 Fused polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2016-10-18 US disclosed
US-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-02-04 US disclosed
US-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-02-04 US disclosed
EP-0842943-B1 5-Ring heterocycles as inhibitors of leukocyte adhesion and as VLA-4 antagonists HOECHST AG (DE) 2003-02-26 EP disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
EP-0842943-A2 5-Ring heterocycles as inhibitors of leukocyte adhesion and as VLA-4 antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
US-5200561-A PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-06 US disclosed
US-4732907-A Antiprotozoal diamidines and bis-imidazoline PFIZER INC. (US) 1988-03-22 US disclosed
US-4624958-A Antiprotozoal 1,4-di(p-amidinophenyl)imidazoles PFIZER INC. (US) 1986-11-25 US disclosed
US-4546113-A Antiprotozoal diamidines PFIZER INC. (US) 1985-10-08 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 (4 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-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME NR2E3, PUF60, CRY2 CTBP2 1055/4885LOXL2 2630/4885CYP2A6 1804/4885
US-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT OCIAD1, L1CAM, SPIN4 CTBP2 3673/4885LOXL2 97/4885CYP2A6 2624/4885
US-20210139417-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CYP1A1, POU2F1, NFE2L2 CTBP2 1483/4885LOXL2 592/4885CYP2A6 127/4885
US-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object OCIAD1, L1CAM, SPIN4 CTBP2 3673/4885LOXL2 97/4885CYP2A6 2624/4885

“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.