SCHEMBL3556382

SCHEMBL3556382

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
AVPR1B P47901 3/20 0.41
AVPR1A P37288 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
EPHX2 P34913 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR6 P50406 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3554166 0.91 TP53 (0.42) TP53AVPR1BAVPR1ALMNAMAPT
SCHEMBL301780 0.85 TP53 (0.46) TP53LMNAMAPTALOX15MAPK1
SCHEMBL3560037 0.85 SMN1; SMN2 (0.46) TP53AVPR1BLMNAMAPTALOX15
SCHEMBL3557518 0.84 TSHR (0.46) TP53LMNAMAPTALOX15MAPK1
SCHEMBL3556277 0.83 TSHR (0.45) TP53LMNAMAPTALOX15MAPK1
SCHEMBL3560963 0.83 NAMPT (0.46) TP53AVPR1BLMNAMAPTMAPK1
SCHEMBL3556390 0.83 TSHR (0.44) TP53LMNAMAPTALOX15MAPK1
SCHEMBL3566882 0.82 CCR3 (0.42) TP53MAPTKMT2A
SCHEMBL3556658 0.81 KMT2A (0.44) TP53MAPTKMT2ANPSR1
SCHEMBL3561511 0.81 HTR2A (0.46) TP53AVPR1BLMNAALOX15KMT2A

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 TP53 4821/4885AVPR1B 65/4885AVPR1A 158/4885

“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.