SCHEMBL13091633

SCHEMBL13091633

Cc1cc2c(c(C#N)c1N)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 14/20 0.40
▸ ALDH1A1 P00352 13/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ GAA P10253 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.38
▸ BPTF Q12830 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ CASP1 P29466 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL11038159 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL25837417 0.78 KDM4E (0.37) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL10277460 0.72 NOS3 (0.39) KDM4EALDH1A1GAAMAPK1BPTF
SCHEMBL13091632 0.72 CYP3A4 (0.34) ALDH1A1MAPK1MAPTMEN1POLB
SCHEMBL21567337 0.72 NOTUM (0.40) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL19931603 0.71 KDM4E (0.46) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL5155574 0.71 MEN1 (0.43) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL11039790 0.69 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL5211581 0.69 KDM4E (0.44) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL19995820 0.68 NOS3 (0.36) KDM4EALDH1A1GAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399490-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-03-19 — — US disclosed
US-20100273830-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 — — 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 (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-20100273830-A1 NOVEL INSECTICIDES NR5A2, NR2C2, NOX5 KDM4E 2195/4885ALDH1A1 1573/4885HSD17B10 1555/4885

“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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