SCHEMBL9526422

SCHEMBL9526422

O=[N+]([O-])c1ccc(CSc2nc[nH]n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 6/20 0.56
CDC7 O00311 1/20 0.51
DBF4 Q9UBU7 1/20 0.51
CTSB P07858 1/20 0.50
GFER P55789 2/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
CNR2 P34972 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13750190 0.84 MAPK1 (0.44) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL5657175 0.78 MAPT (0.61) SMN1; SMN2MAPTCTSBGFERPOLB
SCHEMBL8982360 0.77 MAPT (0.53) SMN1; SMN2MAPTGFERLMNAALDH1A1
SCHEMBL14027386 0.76 MAPK1 (0.59) SMN1; SMN2MAPTCDC7DBF4CTSB
SCHEMBL13870209 0.76 RECQL (0.54) SMN1; SMN2MAPTLMNAALDH1A1NPC1
SCHEMBL5376203 0.76 HSD17B10 (0.58) SMN1; SMN2MAPTCDC7DBF4LMNA
SCHEMBL4447163 0.75 POLB (0.53) MAPTPOLBALDH1A1RAB9A
SCHEMBL28631728 0.74 SMN1; SMN2 (0.68) SMN1; SMN2MAPTCTSBPOLBLMNA
SCHEMBL13778173 0.74 DAO (0.50) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL8445012 0.74 NPC1 (0.57) SMN1; SMN2CTSBLMNATP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515546-A4 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-05-12 EP claimed
EP-0515546-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP claimed
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 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-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 SMN1; SMN2 4365/4885MAPT 3140/4885CDC7 483/4885

“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.