SCHEMBL3562435

SCHEMBL3562435

COc1ccc(S(=O)(=O)N(C)C2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MITF O75030 1/20 0.47
POLB P06746 3/20 0.45
HSD17B10 Q99714 1/20 0.45
APOBEC3A P31941 2/20 0.45
APOBEC3G Q9HC16 2/20 0.45
LMNA P02545 2/20 0.45
NAMPT P43490 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL3556125 0.91 POLB (0.45) L3MBTL1HTR2AHTR2CALDH1A1GAA
SCHEMBL3563376 0.91 HTR2A (0.51) L3MBTL1HTR2AHTR2CALDH1A1GAA
SCHEMBL3568137 0.91 HTR2A (0.46) L3MBTL1HTR2AHTR2CALDH1A1GAA
SCHEMBL3559557 0.91 L3MBTL1 (0.43) L3MBTL1HTR2AHTR2CALDH1A1GAA
SCHEMBL3560963 0.91 NAMPT (0.46) L3MBTL1HTR2AHTR2CALDH1A1GAA
SCHEMBL3555655 0.90 L3MBTL1 (0.45) L3MBTL1ALDH1A1GAAPOLBAPOBEC3A
SCHEMBL3565139 0.90 L3MBTL1 (0.59) L3MBTL1POLBAPOBEC3AAPOBEC3GLMNA
SCHEMBL3561910 0.90 HTR2A (0.51) L3MBTL1HTR2AHTR2CALDH1A1APOBEC3A
SCHEMBL3554924 0.90 L3MBTL1 (0.51) L3MBTL1HTR2AHTR2CAPOBEC3AAPOBEC3G
SCHEMBL3565549 0.89 HTR2A (0.49) L3MBTL1HTR2AHTR2CPOLBNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 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 (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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 L3MBTL1 4878/4885HTR2A 119/4885HTR2C 92/4885

“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.