SCHEMBL3556545

SCHEMBL3556545

COc1cc(C)ccc1S(=O)(=O)N(C1CC1)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MAPK1 P28482 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
UTS2R Q9UKP6 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL3560708 0.92 TP53 (0.42) TP53HCRTR1HCRTR2MAPK1LMNA
SCHEMBL3557518 0.91 TSHR (0.46) TP53HCRTR1HCRTR2MAPK1LMNA
SCHEMBL3555704 0.88 TP53 (0.42) TP53MAPK1LMNAMAPTALOX15
SCHEMBL3559686 0.86 TSHR (0.43) TP53HCRTR1HCRTR2MAPK1LMNA
SCHEMBL3562248 0.85 CA2 (0.48) TP53MEN1KMT2ACA1CA2
SCHEMBL3556125 0.84 POLB (0.45) TP53MAPK1LMNAMEN1KMT2A
SCHEMBL3558382 0.84 MEN1 (0.45) TP53MAPTMEN1KMT2ACA1
SCHEMBL3558956 0.83 LMNA (0.41) LMNACA1CA2KDM4EUTS2R
SCHEMBL3556333 0.83 HTR2A (0.43) TP53MAPTMEN1KMT2ACA1
SCHEMBL3561832 0.82 KMT2A (0.42) TP53MAPTMEN1KMT2APOLB

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 4821/4885HCRTR1 569/4885HCRTR2 307/4885

“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.