SCHEMBL7725862

SCHEMBL7725862

CCCCn1ccc(-c2cccc(Br)c2)c(C(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL7725865 0.85 MAPT (0.44) HDAC3HDAC1HDAC6ALDH1A1NPSR1
SCHEMBL7735824 0.84 GRM2 (0.49) BRD4KMT2AKDM4ELMNAMAPK1
SCHEMBL7735814 0.80 CNR2 (0.39) BRD4ALDH1A1HPGDNPSR1NPC1
SCHEMBL7735552 0.79 BRD9 (0.40) HDAC3HDAC1HDAC6MEN1KMT2A
SCHEMBL7735825 0.76 GFER (0.48) HDAC1HDAC6ALDH1A1HPGDNPSR1
SCHEMBL7726018 0.75 LPAR1 (0.43)
SCHEMBL7737859 0.74 MEN1 (0.45) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7737830 0.73 GRM2 (0.49) BRD4ALDH1A1HPGDNPSR1KMT2A
SCHEMBL7736063 0.70 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL28712874 0.69 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2

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-6452008-B2 3-UREA COMPOUND FROM THE 3-AMIDO COMPOUND WITHOUT AZIDATION PROCESS WHICH HAS RISK OF EXPLOSION; REACTION WITH HYPOCHLORITE, HYPOBROMITE OR LEAD TETRAACETATE AND THEN AN AMINE; ACAT INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-17 US disclosed
US-20010051732-A1 Pyridone derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2001-12-13 US disclosed
US-6300500-B1 Preparation of pyridone derivatives using phthalimido containing starting material SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-10-09 US disclosed
EP-1086948-A1 PYRIDONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-28 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-20010051732-A1 Pyridone derivatives and process for preparing the same HK1, HPD, ALK BRD4 2637/4885HDAC3 2721/4885HDAC1 3185/4885

“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.