SCHEMBL3562364

SCHEMBL3562364

Cc1cc(NC(=O)NCCN2CCC(N(C)S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
HTR7 P34969 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 3/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TP53 P04637 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
CNR1 P21554 1/20 0.40
CCR5 P51681 1/20 0.40
MITF O75030 1/20 0.40
RAD52 P43351 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL3556001 0.91 HTR7 (0.41) HTR7TP53CNR1CCR5CA1
SCHEMBL3554924 0.91 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2NAMPTAPOBEC3AAPOBEC3G
SCHEMBL3557217 0.91 NAMPT (0.44) HTR7NAMPTTP53CNR1CA1
SCHEMBL3563376 0.89 HTR2A (0.51) L3MBTL1GAAALDH1A1HTTSMN1; SMN2
SCHEMBL3564316 0.89 HTR2A (0.55) L3MBTL1ALDH1A1HTTTP53HTR2A
SCHEMBL3568175 0.88 L3MBTL1 (0.43) L3MBTL1GAAALDH1A1HTTSMN1; SMN2
SCHEMBL3561910 0.88 HTR2A (0.51) L3MBTL1HTR7ALDH1A1NAMPTAPOBEC3A
SCHEMBL3565139 0.88 L3MBTL1 (0.59) L3MBTL1HTTSMN1; SMN2NAMPTAPOBEC3A
SCHEMBL3565549 0.88 HTR2A (0.49) L3MBTL1HTR7NAMPTHTR2AHTR2C
SCHEMBL3564913 0.87 HTR2A (0.55) L3MBTL1HTR7GAAALDH1A1HTT

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 6 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
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 L3MBTL1 4878/4885HTR7 107/4885GAA 2433/4885

“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.