SCHEMBL12287290

SCHEMBL12287290

CCCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ USP2 O75604 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ HAT1 O14929 4/20 0.41
▸ RBBP7 Q16576 4/20 0.41
▸ KAT7 O95251 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ RECQL P46063 3/20 0.39
▸ CASP7 P55210 3/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ BRCA1 P38398 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TST Q16762 2/20 0.39

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
SCHEMBL12287042 0.92 MEN1 (0.45) KMT2AMEN1USP2KDM4EMAPT
SCHEMBL12286982 0.90 HAT1 (0.45) KMT2AMEN1USP2KDM4EMAPT
SCHEMBL12286942 0.90 KMT2A (0.45) KMT2AMEN1USP2KDM4EMAPT
SCHEMBL12287272 0.88 KMT2A (0.48) KMT2AMEN1USP2KDM4EMAPT
SCHEMBL12287128 0.87 KMT2A (0.43) KMT2AMEN1USP2KDM4EMAPT
SCHEMBL12286921 0.87 KMT2A (0.59) KMT2AMEN1USP2KDM4EMAPT
SCHEMBL12287281 0.87 MEN1 (0.43) KMT2AMEN1USP2KDM4EMAPT
SCHEMBL12287029 0.86 HAT1 (0.42) KMT2AMEN1USP2KDM4EMAPT
SCHEMBL12287409 0.86 HAT1 (0.42) KMT2AMEN1USP2KDM4EMAPT
SCHEMBL12286887 0.85 KMT2A (0.50) KMT2AMEN1USP2KDM4EMAPT

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-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 — — US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 — — US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 — — 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KMT2A 3363/4885MEN1 4701/4885USP2 3968/4885

“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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