SCHEMBL4876994

SCHEMBL4876994

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)NCc2cccnc2)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
SCD O00767 4/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM4 P08173 1/20 0.41
HPGD P15428 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 1/20 0.40
ACACB O00763 1/20 0.39
AOC3 Q16853 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL4992515 0.92 SCD (0.48) ALDH1A1SCDPOLBRAB9ALMNA
SCHEMBL4873575 0.90 SCD (0.40) SCDCHRM4ACACBAOC3
SCHEMBL4988431 0.89 KMT2A (0.43) ALDH1A1HTTRAB9ALMNAHPGD
SCHEMBL4873046 0.86 SCD (0.42) HTTSCDRAB9ALMNAHPGD
SCHEMBL4985026 0.85 ALDH1A1 (0.44) ALDH1A1HTTSCDPOLBRAB9A
SCHEMBL4876507 0.85 SCD (0.43) ALDH1A1SCDPOLBRAB9ALMNA
SCHEMBL4875954 0.84 AOC3 (0.40) AOC3PIK3CG
SCHEMBL4876799 0.84 PPARA (0.47) SCDCHRM4
SCHEMBL4874051 0.84 AOC3 (0.48) SCDPOLBCHRM4AOC3PIK3CG
SCHEMBL14019587 0.84 ALDH1A1 (0.52) ALDH1A1HTTPOLBLMNANPSR1

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 6 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-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-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (3 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 ALDH1A1 930/4885HTT 990/4885SCD 2681/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 ALDH1A1 930/4885HTT 990/4885SCD 2681/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB ALDH1A1 1690/4885HTT 1133/4885SCD 1094/4885

“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.