SCHEMBL1506100

SCHEMBL1506100

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OCC)c2)c(-c2nnc(-c3ccncc3)o2)c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
NAMPT P43490 4/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL2137127 0.94 MAPT (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2132461 0.92 ABL1 (0.40) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL1506097 0.85 ALDH1A1 (0.43) ALDH1A1HTTNAMPTGAAKMT2A
SCHEMBL2134704 0.83 CDK5 (0.41) NAMPTGAAKMT2A
SCHEMBL2139276 0.82 KDM4E (0.41) NAMPTGAAKMT2AMAPTNPC1
SCHEMBL1505611 0.80 NAMPT (0.41) NAMPTGAAKMT2AMAPT
SCHEMBL1505706 0.79 KDM4E (0.43) NAMPTGAAKMT2AMAPTNPC1
SCHEMBL1505581 0.79 KDM4E (0.43) NAMPTGAAKMT2AMAPTNPC1
SCHEMBL1505765 0.78 MTOR (0.50) HTTGAAKMT2AMAPTSMN1; SMN2
SCHEMBL2137123 0.78 NPC1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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 (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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 ALDH1A1 1208/4885HTT 3181/4885NAMPT 716/4885

“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.