SCHEMBL4873516

SCHEMBL4873516

O=C(Nc1nc(CO)cs1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 1/20 0.50
ENPP2 Q13822 1/20 0.47
SCD O00767 1/20 0.47
GLS O94925 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CTRB1 P17538 2/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL10084516 0.88 SMN1; SMN2 (0.62) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL9153870 0.88 MAPK1 (0.55) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL27730232 0.88 MAPK1 (0.55) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4832627 0.88 ALDH1A1 (0.59) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL27626589 0.88 MAPK1 (0.49) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL15331063 0.86 MAPK1 (0.53) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL10349418 0.85 TP53 (0.56) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL27751166 0.83 LMNA (0.69) MAPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4873462 0.82 AOC3 (0.55) MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL8872595 0.82 ELOVL1 (0.66) NPC1RAB9AENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO 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 (5 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB MAPK1 714/4885SMN1; SMN2 3771/4885NPC1 549/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPK1 142/4885SMN1; SMN2 966/4885NPC1 476/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 MAPK1 822/4885SMN1; SMN2 3587/4885NPC1 466/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPK1 142/4885SMN1; SMN2 966/4885NPC1 476/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB MAPK1 139/4885SMN1; SMN2 1570/4885NPC1 324/4885

“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.