SCHEMBL4863743

SCHEMBL4863743

CC(=O)Nc1nc(C=O)c(-c2ccccc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PIK3CG P48736 5/20 0.51
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
PIK3CD O00329 4/20 0.50
PIK3CA P42336 4/20 0.50
PIK3CB P42338 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
DYRK1A Q13627 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
XIAP P98170 2/20 0.47

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
SCHEMBL4870776 0.84 PIK3CG (0.49) ALDH1A1MAPTMEN1KMT2APIK3CG
SCHEMBL12992093 0.81 PIK3CG (0.74) ALDH1A1MAPTMEN1KMT2APIK3CG
SCHEMBL4110096 0.81 ALDH1A1 (0.82) ALDH1A1MAPTMEN1KMT2APIK3CG
SCHEMBL544522 0.79 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2APIK3CG
SCHEMBL3940056 0.78 TSHR (0.56) ALDH1A1MAPTMEN1KMT2APIK3CG
SCHEMBL4876010 0.76 PTPN1 (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4875999 0.76 PTPN1 (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4877026 0.76 PTPN1 (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4870668 0.76 GAA (0.65) ALDH1A1MAPTMEN1KMT2APIK3CG
SCHEMBL27626581 0.76 ALOX5 (0.66) ALDH1A1MAPTMEN1KMT2APIK3CG

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 10 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-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-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 ALDH1A1 927/4885MAPT 430/4885MEN1 3711/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 ALDH1A1 930/4885MAPT 320/4885MEN1 2478/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 ALDH1A1 260/4885MAPT 670/4885MEN1 3836/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 ALDH1A1 930/4885MAPT 320/4885MEN1 2478/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB ALDH1A1 1690/4885MAPT 1121/4885MEN1 3241/4885

“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.