SCHEMBL3556658

SCHEMBL3556658

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 1/20 0.42
POLB P06746 2/20 0.41
UTS2R Q9UKP6 2/20 0.40
MAPT P10636 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
NAMPT P43490 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 3/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CCR3 P51677 1/20 0.39

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
SCHEMBL3557298 0.91 MAPT (0.43) KMT2AMEN1POLBUTS2RMAPT
SCHEMBL3562413 0.91 KMT2A (0.42) KMT2AMEN1POLBUTS2RMAPT
SCHEMBL3565446 0.90 HTR2A (0.53) KMT2AMEN1RAB9APOLBUTS2R
SCHEMBL3558382 0.90 MEN1 (0.45) KMT2AMEN1RAB9APOLBUTS2R
SCHEMBL3564216 0.90 POLB (0.46) KMT2AMEN1POLBUTS2RMAPT
SCHEMBL301780 0.90 TP53 (0.46) KMT2AMEN1MAPTHTR2ATP53
SCHEMBL3564763 0.89 NAMPT (0.47) KMT2AMEN1RAB9APOLBUTS2R
SCHEMBL4862536 0.87 UTS2R (0.57) KMT2AMEN1RAB9APOLBUTS2R
SCHEMBL3561750 0.86 NAMPT (0.49) KMT2AMEN1NAMPTNPSR1TP53
SCHEMBL3563101 0.85 LMNA (0.41) HTR2ANAMPTCCR3

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 KMT2A 3265/4885MEN1 1845/4885RAB9A 2354/4885

“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.