SCHEMBL3563376

SCHEMBL3563376

Cc1ccc(S(=O)(=O)N(C)C2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
APOBEC3A P31941 3/20 0.47
APOBEC3G Q9HC16 3/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 3/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3554924 0.93 L3MBTL1 (0.51) HTR2AHTR2CCA1CA2L3MBTL1
SCHEMBL3561910 0.93 HTR2A (0.51) HTR2AHTR2CCA1CA2L3MBTL1
SCHEMBL3565139 0.93 L3MBTL1 (0.59) CA1CA2L3MBTL1APOBEC3AAPOBEC3G
SCHEMBL3565549 0.93 HTR2A (0.49) HTR2AHTR2CCA1CA2L3MBTL1
SCHEMBL3560935 0.92 HTR2A (0.53) HTR2AHTR2CCA1CA2L3MBTL1
SCHEMBL3562435 0.91 L3MBTL1 (0.53) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL3565128 0.91 HTR2A (0.53) HTR2AHTR2CCA1CA2L3MBTL1
SCHEMBL3562248 0.91 CA2 (0.48) HTR2AHTR2CCA1CA2ALDH1A1
SCHEMBL3564913 0.90 HTR2A (0.55) HTR2AHTR2CCA1CA2L3MBTL1
SCHEMBL3561750 0.90 NAMPT (0.49) CA1CA2L3MBTL1NAMPTALDH1A1

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 HTR2A 119/4885HTR2C 92/4885CA1 3602/4885

“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.