SCHEMBL12590041

SCHEMBL12590041

CNNc1ccc(C(=O)NCCN2C(=O)C=CC2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ HCAR3 P49019 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GABRA5 P31644 1/20 0.37
▸ NNMT P40261 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL10032058 0.90 HCAR3 (0.49) KDM4EMAPTNAMPTKMT2AMEN1
SCHEMBL12646651 0.88 MEN1 (0.40) KDM4EMAPTNAMPTKMT2AMEN1
SCHEMBL12590062 0.85 MEN1 (0.41) KDM4EMAPTNAMPTKMT2AMEN1
Hydrochloric Acid SCHEMBL2057832 0.84 MEN1 (0.40) KDM4EMAPTNAMPTKMT2AMEN1
SCHEMBL2057999 0.82 AKT1 (0.46) KDM4EMAPTNAMPTKMT2AMEN1
SCHEMBL16731692 0.74 NPSR1 (0.58) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL12834865 0.73 KDM4E (0.40) KDM4EMAPTNAMPTKMT2AMEN1
SCHEMBL32665265 0.73 OPRM1 (0.50) MAPTNAMPTKMT2AMEN1ALDH1A1
SCHEMBL24285410 0.72 HCAR3 (0.51) MAPTHCAR3NNMT
SCHEMBL9610832 0.72 CD274 (0.52) KMT2AMEN1POLBRAB9A

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 3 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-20110160430-A1 FLUORINE-LABELED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2011-06-30 — — US disclosed
WO-2010079079-A2 PDGF-Rβ BINDERS GENERAL ELECTRIC COMPANY (US) 2010-07-15 — — 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-20110160430-A1 FLUORINE-LABELED COMPOUNDS PFAS, DHFR, PAICS KDM4E 4579/4885MAPT 2125/4885NAMPT 3139/4885

“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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