SCHEMBL1369129

SCHEMBL1369129

O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)c1cc2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.45
▸ MAPT P10636 9/20 0.44
▸ RECQL P46063 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ POLB P06746 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ P2RX1 P51575 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 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
SCHEMBL1366668 1.00 BACE1 (0.45) BACE1MAPTRECQLNPSR1MITF
SCHEMBL1366670 1.00 BACE1 (0.45) BACE1MAPTRECQLNPSR1MITF
SCHEMBL1366313 0.86 DAO (0.46) BACE1MAPTRAB9AMEN1KMT2A
SCHEMBL1368303 0.86 DAO (0.46) BACE1MAPTRAB9AMEN1KMT2A
SCHEMBL1366316 0.86 DAO (0.46) BACE1MAPTRAB9AMEN1KMT2A
SCHEMBL1366903 0.85 DAO (0.40) BACE1DAO
SCHEMBL1366905 0.85 DAO (0.40) BACE1DAO
SCHEMBL1369662 0.85 DAO (0.40) BACE1DAO
SCHEMBL829842 0.83 MAPT (0.42) BACE1MAPTRECQLNPSR1MITF
SCHEMBL830963 0.83 MAPT (0.42) BACE1MAPTRECQLNPSR1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 — — US claimed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 — — WO claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 — — US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 — — 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS BACE1 4687/4885MAPT 4718/4885RECQL 4/4885

“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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