SCHEMBL301780

SCHEMBL301780

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
ABL1 P00519 2/20 0.42
HTR3A P46098 1/20 0.41
HTR2A P28223 1/20 0.41
CCR3 P51677 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RORC P51449 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 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
SCHEMBL3557518 0.91 TSHR (0.46) TP53SMN1; SMN2TSHRMCOLN3KMT2A
SCHEMBL3556277 0.90 TSHR (0.45) TP53SMN1; SMN2TSHRMCOLN3HTR2A
SCHEMBL3556658 0.90 KMT2A (0.44) TP53HTR2ACCR3KMT2AMAPT
SCHEMBL3556390 0.90 TSHR (0.44) TP53SMN1; SMN2TSHRMCOLN3LMNA
SCHEMBL3557298 0.88 MAPT (0.43) TP53HTR2AKMT2AMAPTMEN1
SCHEMBL3562413 0.88 KMT2A (0.42) TP53HTR2ACCR3KMT2AMAPT
SCHEMBL3564216 0.87 POLB (0.46) SMN1; SMN2TSHRCCR3KMT2AMAPT
SCHEMBL3560037 0.87 SMN1; SMN2 (0.46) TP53SMN1; SMN2TSHRLMNAMAPT
SCHEMBL3564763 0.86 NAMPT (0.47) TP53HTR2ACCR3KMT2AMAPT
SCHEMBL3559686 0.86 TSHR (0.43) TP53SMN1; SMN2TSHRMCOLN3KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4851328-B2 2012-01-11 JP claimed
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 4821/4885SMN1; SMN2 3430/4885TSHR 1285/4885

“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.