SCHEMBL2846347

SCHEMBL2846347

O=C(O)CCc1cnc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.54
RHOA P61586 1/20 0.53
KEAP1 Q14145 1/20 0.52
RAB9A P51151 1/20 0.51
CFTR P13569 1/20 0.50
FFAR1 O14842 5/20 0.49
AKR1B1 P15121 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
TRPM5 Q9NZQ8 1/20 0.48
DHODH Q02127 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48

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
Hydrochloric Acid SCHEMBL3867467 0.98 MGAM (0.53) MGAMRHOAKEAP1RAB9ACFTR
Trifluoroacetic Acid SCHEMBL2850398 0.93 RHOA (0.48) MGAMRHOAKEAP1RAB9ACFTR
SCHEMBL5199025 0.91 CYP1A2 (0.60) MGAMRHOARAB9ACFTRFFAR1
SCHEMBL5197022 0.89 CYP1A2 (0.55) MGAMRAB9ACFTRHDAC3HDAC4
SCHEMBL7821089 0.88 MAPT (0.57) MGAMCFTRHDAC3HDAC4HDAC1
SCHEMBL7832253 0.88 MAPT (0.57) MGAMCFTRHDAC3HDAC4HDAC1
SCHEMBL530807 0.86 TRPM5 (0.50) MGAMRAB9ACFTRTRPM5DHODH
SCHEMBL29750532 0.83 MGAM (0.57) MGAMRAB9ACFTRAKR1B1P4HTM
SCHEMBL3102896 0.83 MGAM (0.57) MGAMRAB9ACFTRAKR1B1P4HTM
SCHEMBL3396692 0.82 CYP1A2 (0.55) MGAMRAB9ACFTRDHODHHDAC3

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133489-B9 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-05-03 EP claimed
EP-1133489-B1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-07-27 EP claimed
EP-1533310-A1 Isonipecotamides for the treatment of integrin-mediated disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2005-05-25 EP claimed
US-20030181440-A1 Isonipecotamides for the treatment of integrin-mediated disorders COSTANZO MICHAEL J (US) 2003-09-25 US claimed
EP-1133489-A1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-09-19 EP claimed
WO-2001023376-A1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-04-05 WO claimed
US-20250136987-A1 CHANNEL MODULATORS INFLAMMX THERAPEUTICS, INC. 2025-05-01 US disclosed
EP-4491184-A2 CHANNEL MODULATORS Auckland Uniservices Limited (NZ) 2025-01-15 EP disclosed
EP-3183346-B1 CHANNEL MODULATORS AUCKLAND UNISERVICES LTD (NZ) 2024-10-23 EP disclosed
EP-4305024-A1 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES Abionyx Pharma SA (FR) 2024-01-17 EP disclosed
US-20230174980-A1 CHANNEL MODULATORS INFLAMMX THERAPEUTICS, INC. 2023-06-08 US disclosed
WO-2022189856-A9 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES ABIONYX PHARMA SA (FR) 2022-10-13 WO disclosed
WO-2022189856-A1 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES ABIONYX PHARMA SA (FR) 2022-09-15 WO disclosed
US-6017926-A Integrin receptor antagonists MERCK & CO., INC. (US) 2000-01-25 US disclosed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
WO-1999031099-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN disclosed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO disclosed
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 US disclosed
US-4524071-A HISTAMINE H2-ANTAGONISTS GLAXO GROUP LIMITED (GB) 1985-06-18 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 (3 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-20230174980-A1 CHANNEL MODULATORS GJB2, GJA1, P2RX2 MGAM 4075/4885RHOA 389/4885KEAP1 1638/4885
US-20030181440-A1 Isonipecotamides for the treatment of integrin-mediated disorders ITGB2, ITGA1, ITGB1 MGAM 3323/4885RHOA 810/4885KEAP1 1449/4885
US-20250136987-A1 CHANNEL MODULATORS GJB2, GJA1, P2RX2 MGAM 4075/4885RHOA 389/4885KEAP1 1638/4885

“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.