SCHEMBL5219928

SCHEMBL5219928

O=C(O)C=Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
KDR P35968 2/20 0.53
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
NPFFR1 Q9GZQ6 2/20 0.49
NPFFR2 Q9Y5X5 2/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPK1 P28482 3/20 0.49
APP P05067 2/20 0.49
CA12 O43570 2/20 0.49
AKR1B10 O60218 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA3 P07451 2/20 0.49
AKR1B1 P15121 2/20 0.49
CA4 P22748 2/20 0.49

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
SCHEMBL5219915 1.00 HDAC1 (0.53) HDAC1HDAC8HDAC6KDRITGB2
Hydrochloric Acid SCHEMBL6821851 0.98 HDAC1 (0.52) HDAC1HDAC8HDAC6KDRITGB2
SCHEMBL6821842 0.87 KDR (0.53) HDAC1HDAC8HDAC6KDRNPFFR1
SCHEMBL6821848 0.87 KDR (0.53) HDAC1HDAC8HDAC6KDRNPFFR1
SCHEMBL8997537 0.84 APP (0.59) HDAC1HDAC8HDAC6KDRNPFFR1
SCHEMBL9005492 0.83 HDAC1 (0.50) HDAC1HDAC8HDAC6KDRNPFFR1
SCHEMBL9005500 0.83 HDAC1 (0.50) HDAC1HDAC8HDAC6KDRNPFFR1
SCHEMBL3534745 0.83 ITGAL (0.55) HDAC1HDAC8HDAC6ITGB2ICAM1
SCHEMBL3534746 0.83 ITGAL (0.55) HDAC1HDAC8HDAC6ITGB2ICAM1
SCHEMBL692664 0.82 KDM4E (0.50) HDAC1HDAC8HDAC6ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805342-A Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and use thereof 赛弗卢尔生命科学公司 2022-07-29 CN disclosed
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
US-7101898-B2 For therapy of allergic rhinitis, ulcer or anorexia, diabetes, Alzheimer's disease, narcolepsy or attention deficit disorder NOVO NORDISK A/S (DK) 2006-09-05 US disclosed
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
WO-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 US disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 WO disclosed
EP-0607344-A1 3,4-DIHYDRO-4-OXO-3-(PROP-2-ENYL)-1-PHTALAZINEACETIC ACIDS AND DERIVATIVES, PREPARATIONS THEREOF AND DRUGS CONTAINING SAME LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1994-07-27 EP disclosed
WO-1993007109-A1 3,4-DIHYDRO-4-OXO-3-(PROP-2-ENYL)-1-PHTALAZINEACETIC ACIDS AND DERIVATIVES, PREPARATIONS THEREOF AND DRUGS CONTAINING SAME LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1993-04-15 WO disclosed
US-3931168-A Cinnamamidohydantoins MORTON-NORWICH PRODUCTS, INC. (US) 1976-01-06 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-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HRH3, HRH2, HRH4 HDAC1 834/4885HDAC8 1161/4885HDAC6 1427/4885

“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.