SCHEMBL3555704

SCHEMBL3555704

COc1ccc(OC)c(S(=O)(=O)N(C2CC2)C2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTR2A P28223 2/20 0.40
CCR3 P51677 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 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
SCHEMBL3937977 0.92 TP53 (0.42) TP53KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3556277 0.91 TSHR (0.45) TP53KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3556125 0.88 POLB (0.45) TP53KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3556545 0.88 TP53 (0.42) TP53KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3558961 0.86 HTR2A (0.46) TP53KMT2AMEN1LMNAHTR2A
SCHEMBL302576 0.85 KMT2A (0.55) TP53KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3558382 0.83 MEN1 (0.45) TP53KMT2AMEN1HTR2ACCR3
SCHEMBL3556390 0.83 TSHR (0.44) TP53LMNASMN1; SMN2MAPK1POLB
SCHEMBL3560493 0.82 MAPT (0.43) TP53KMT2AMEN1HTR2APOLB
SCHEMBL3561832 0.82 KMT2A (0.42) TP53KMT2AMEN1HTR2ACCR3

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 4821/4885KMT2A 3265/4885MEN1 1845/4885

“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.