SCHEMBL4873601

SCHEMBL4873601

CCOC(=O)Nc1nc(C=Cc2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 5/20 0.47
GAA P10253 2/20 0.47
PTGS2 P35354 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL4873597 1.00 MAPT (0.49) MAPTALDH1A1CRHBPCRHR2MEN1
SCHEMBL28758575 0.90 KMT2A (0.47) MAPTALDH1A1CRHBPCRHR2MEN1
SCHEMBL4870736 0.86 MAPK1 (0.45) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL4870731 0.86 MAPK1 (0.45) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL3932557 0.84 RAB9A (0.62) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3932546 0.84 RAB9A (0.62) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4875352 0.84 RAB9A (0.62) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4875135 0.81 LMNA (0.65) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4875125 0.81 LMNA (0.65) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10963704 0.80 RAB9A (0.70) MAPTMEN1KMT2ARAB9AGAA

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 MAPT 430/4885ALDH1A1 927/4885CRHBP 2303/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885ALDH1A1 930/4885CRHBP 3324/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 MAPT 670/4885ALDH1A1 260/4885CRHBP 3552/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885ALDH1A1 930/4885CRHBP 3324/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB MAPT 1121/4885ALDH1A1 1690/4885CRHBP 2149/4885

“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.