SCHEMBL9903804

SCHEMBL9903804

COc1ccc(CNCC(N)=O)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL31934 0.82 HPGD (0.54) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL5653389 0.82 TSHR (0.54) LMNAALDH1A1MEN1KMT2ACYP2D6
SCHEMBL27590527 0.80 HSD17B10 (0.57) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL27561190 0.78 GAA (0.46) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL4094627 0.78 CDK8 (0.55) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL9903432 0.78 SCN3A (0.48) CYP2D6CYP2C9CYP2C19TSHRHDAC3
SCHEMBL9903807 0.78 KDM4E (0.54) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL27260403 0.77 GAA (0.58) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL7477238 0.77 RECQL (0.62) MEN1KMT2APOLBRECQL
SCHEMBL4573749 0.77 GAA (0.64) LMNAGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC LMNA 2699/4885GAA 2753/4885ALDH1A1 1038/4885

“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.