SCHEMBL7079595

SCHEMBL7079595

COc1cccc(CC(=O)O)c1NC(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.60
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ RCE1 Q9Y256 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ BCAT2 O15382 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ EPHX1 P07099 1/20 0.46

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
SCHEMBL5350823 0.85 PTGS2 (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6543559 0.84 KMT2A (0.52) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7134608 0.79 PTGS2 (0.58) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL5273139 0.78 NR3C2 (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL155982 0.76 HSD17B10 (0.61) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29431297 0.76 HSD17B10 (0.61) KMT2AMEN1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL2527513 0.74 HSD17B10 (0.59) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL28215186 0.74 HSD17B10 (0.59) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7224585 0.74 HSD17B10 (0.46) KMT2AMEN1NPC1RAB9AHSD17B10
SCHEMBL8049389 0.74 MEN1 (0.76) HIF1AKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 HIF1A 385/4885KMT2A 1046/4885MEN1 2953/4885

“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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