SCHEMBL5260416

SCHEMBL5260416

COc1cc2[nH]c(N3CCN(C(=O)CCC(C)C)CC3)nc(=O)c2c(C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ CFD P00746 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 2/20 0.35

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
SCHEMBL5262158 0.93 KDM4E (0.41) KDM4EPOLBKMT2AMEN1HSD17B10
Hydrochloric Acid SCHEMBL5262896 0.92 KDM4E (0.41) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL5263193 0.91 KDM4E (0.48) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL5262020 0.85 LMNA (0.39) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL5264473 0.84 MAPT (0.44) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL5264178 0.83 KDM4E (0.50) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL5263197 0.83 CFD (0.43) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL11603442 0.81 EGLN1 (0.44) KDM4EPOLBHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11601997 0.80 EGLN1 (0.43) KDM4EPOLBHSD17B10ALDH1A1MAPT
SCHEMBL5260904 0.78 HTR1A (0.39) KDM4EPOLBKMT2AMEN1HSD17B10

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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 — — US claimed
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 — — EP 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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 KDM4E 3891/4885POLB 1321/4885KMT2A 3011/4885

“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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