SCHEMBL17064010

SCHEMBL17064010

COCc1ccccc1C(=N)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
LMNA P02545 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL23978134 0.79 ALDH1A1 (0.39) PRMT5LMNAHDAC3HDAC1ALDH1A1
SCHEMBL5763437 0.79 CLCN2 (0.41) HDAC3HDAC1ALDH1A1KMT2AHTT
SCHEMBL14169133 0.79 PRKCE (0.37) ALDH1A1KMT2AKDM4EHTTRAB9A
SCHEMBL3150175 0.74 ALDH1A1 (0.62) LMNAALDH1A1MAPK8MAPK9MAPK10
SCHEMBL16245167 0.73 TSHR (0.46) PRMT5LMNAHDAC3HDAC1ALDH1A1
SCHEMBL975933 0.72 LIPG (0.49) HTTTSHR
SCHEMBL2775341 0.72 LMNA (0.51) LMNAHDAC1KMT2ARAB9ANPC1
SCHEMBL2513310 0.72 ALDH1A1 (0.39) PRMT5LMNAHDAC3HDAC1ALDH1A1
SCHEMBL3145722 0.72 LMNA (0.46) PRMT5LMNAHDAC3HDAC1ALDH1A1
SCHEMBL534811 0.72 HTT (0.56) ALDH1A1KDM4EHTTHPGDTSHR

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
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 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-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR PRMT5 3150/4885LMNA 3489/4885HDAC3 806/4885

“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.