SCHEMBL2563564

SCHEMBL2563564

N#CCc1ccc(C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
CYP2A6 P11509 4/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TYR P14679 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2A13 Q16696 1/20 0.37
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL8329657 0.81 CYP2A6 (0.44) EGFRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL2154504 0.80 KMT2A (0.47) CYP2A6KMT2ALMNAMAPTL3MBTL1
SCHEMBL6592666 0.79 KMT2A (0.58) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8763328 0.78 KMT2A (0.42) KMT2AALDH1A1LMNAMAPTL3MBTL1
SCHEMBL4137976 0.77 CYP2A6 (0.41) EGFRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL350919 0.77 ALDH1A1 (0.50) KMT2AALDH1A1LMNAMAPTL3MBTL1
SCHEMBL12944865 0.77 KDM4E (0.39) EGFRKMT2AKDM4E
SCHEMBL2561914 0.75 ENPP2 (0.49) CYP2A6KMT2AALDH1A1KDM4ERAB9A
SCHEMBL17087247 0.75 HIF1A (0.42) EGFRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL3976211 0.75 CYP2A6 (0.52) CYP2A6HSD17B10ALDH5A1ABATKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11622954-B2 Estrogen receptor ligands, compositions and methods related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-04-11 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20210196667-A1 ESTROGEN RECEPTOR LIGANDS, COMPOSITIONS AND METHODS RELATED THERETO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-01 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
WO-2018024602-A1 2,7-DIAZASPIRO[4.4]NONANES BAYER AKTIENGESELLSCHAFT (DE) 2018-02-08 WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-5374641-A Thromboxane synthetase inhibitors, prostaglandin H2 antagonist , anticoagulants and antiallergens TERUMO KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0501876-A1 N-(3-pyridylalkyl)sulfonamide derivative and pharmaceutical preparation containing thereof TERUMO KABUSHIKI KAISHA (JP) 1992-09-02 EP 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I EGFR 3984/4885CYP2A6 1592/4885HSD17B10 3910/4885
US-20210196667-A1 ESTROGEN RECEPTOR LIGANDS, COMPOSITIONS AND METHODS RELATED THERETO ESR2, ESRRG, ESR1 EGFR 78/4885CYP2A6 1651/4885HSD17B10 1010/4885
US-11622954-B2 Estrogen receptor ligands, compositions and methods related thereto ESR2, ESRRG, ESR1 EGFR 78/4885CYP2A6 1651/4885HSD17B10 1010/4885

“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.