SCHEMBL10032058

SCHEMBL10032058

CNc1ccc(C(=O)NCCN2C(=O)C=CC2=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.49
▸ NNMT P40261 1/20 0.48
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SSTR5 P35346 1/20 0.38

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
SCHEMBL12590041 0.90 KDM4E (0.40) HCAR3NNMTMAPTKDM4EKMT2A
SCHEMBL12590062 0.87 MEN1 (0.41) MAPTKDM4EKMT2AMEN1NAMPT
Hydrochloric Acid SCHEMBL2057832 0.86 MEN1 (0.40) MAPTKDM4EKMT2AMEN1NAMPT
SCHEMBL12646651 0.85 MEN1 (0.40) MAPTKDM4EKMT2AMEN1NAMPT
SCHEMBL24285410 0.82 HCAR3 (0.51) HCAR3NNMTMAPT
SCHEMBL2057999 0.80 AKT1 (0.46) MAPTKDM4EKMT2AMEN1NAMPT
SCHEMBL20037612 0.79 HCAR3 (0.58) HCAR3NNMTMAPTKDM4EKMT2A
SCHEMBL16731692 0.76 NPSR1 (0.58) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL32665265 0.75 OPRM1 (0.50) MAPTKMT2AMEN1NAMPTALDH1A1
SCHEMBL24285515 0.74 HCAR3 (0.46) HCAR3NNMTMAPT

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-8487080-B2 Fluorine-labeled compounds GENERAL ELECTRIC COMPANY (US) 2013-07-16 — — US disclosed
US-8124725-B2 PDGF-Rβ binders GENERAL ELECTRIC COMPANY (US) 2012-02-28 — — US disclosed
US-20110160430-A1 FLUORINE-LABELED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2011-06-30 — — US disclosed
US-7902332-B2 Reacting thiol-reactive terminus of linker with a polypeptide and fluorine-substituted aldehyde GENERAL ELECTRIC COMPANY (US) 2011-03-08 — — US disclosed
US-20090191124-A1 PDGF-RBeta BINDERS GENERAL ELECTRIC COMPANY (US) 2009-07-30 — — US disclosed
US-20080139787-A1 Fluorine-labeled compounds GENERAL ELECTRIC COMPANY 2008-06-12 — — 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-20080139787-A1 Fluorine-labeled compounds PFAS, DHFR, PAICS HCAR3 1846/4885NNMT 1318/4885MAPT 2125/4885
US-20110160430-A1 FLUORINE-LABELED COMPOUNDS PFAS, DHFR, PAICS HCAR3 1846/4885NNMT 1318/4885MAPT 2125/4885
US-20090191124-A1 PDGF-RBeta BINDERS PDGFRB, PDGFA, PDGFRA HCAR3 1528/4885NNMT 4787/4885MAPT 3399/4885

“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.

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