SCHEMBL5332558

SCHEMBL5332558

Cc1nnc(NC(=O)Oc2ccccc2)s1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
MIF P14174 1/20 0.64
KMT2A Q03164 1/20 0.64
TP53 P04637 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK5 Q00535 1/20 0.56
GLS O94925 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL13499907 0.83 KMT2A (0.61) ALDH1A1MEN1POLBMIFKMT2A
SCHEMBL1011592 0.82 POLB (0.68) ALDH1A1MEN1POLBMIFKMT2A
SCHEMBL9156058 0.82 ALDH1A1 (0.60) ALDH1A1MEN1POLBMIFKMT2A
SCHEMBL6215399 0.82 NPC1 (0.60) ALDH1A1MEN1POLBMIFKMT2A
SCHEMBL23966723 0.81 ALDH1A1 (0.60) ALDH1A1MEN1POLBMIFKMT2A
SCHEMBL5345562 0.79 GLS (0.67) ALDH1A1MEN1POLBMIFKMT2A
SCHEMBL11865969 0.78 HTT (0.60) ALDH1A1MEN1POLBMIFKMT2A
SCHEMBL17193491 0.78 GLS (0.82) ALDH1A1MEN1POLBMIFKMT2A
SCHEMBL19651320 0.78 NPC1 (0.62) ALDH1A1MEN1POLBMIFKMT2A
SCHEMBL895339 0.78 CCNE1 (0.69) ALDH1A1MEN1POLBMIFKMT2A

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
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
US-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 US disclosed
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US disclosed
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 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 (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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885MEN1 3899/4885POLB 1254/4885
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 ALDH1A1 2840/4885MEN1 2078/4885POLB 4233/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885MEN1 3899/4885POLB 1254/4885

“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.