SCHEMBL4829706

SCHEMBL4829706

COc1ccccc1CNc1ccc(C(=O)O)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.64
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HCAR3 P49019 5/20 0.56
KDM4E B2RXH2 1/20 0.56
ASPH Q12797 1/20 0.56
KDM8 Q8N371 1/20 0.56
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 3/20 0.53

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
SCHEMBL27437443 0.85 GCK (0.55) HCAR3KDM4EGAAPOLBGCK
SCHEMBL31275112 0.84 KDM4C (0.57) HCAR3CYP1A2CYP3A4CYP2D6USP2
SCHEMBL11564378 0.84 HCAR3 (0.61) HCAR3HCAR2HTT
SCHEMBL12971608 0.83 HCAR3 (0.52) HCAR3NPC1PKMRAB9ASMN1; SMN2
SCHEMBL7825035 0.82 ATM (0.62) ATMHDAC3HDAC1HDAC2HDAC6
SCHEMBL34462764 0.81 CYP1A2 (0.56) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL11564028 0.80 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6HCAR3
SCHEMBL8022247 0.80 GABRA5 (0.52) ATMHDAC3HDAC1HDAC2HDAC6
SCHEMBL13115775 0.80 ATM (0.72) ATMHDAC3HDAC1HDAC2HDAC6
SCHEMBL4820844 0.80 HIF1A (0.72) HDAC3HDAC1HDAC2HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100195-A1 Remedies for urinary frequency ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US claimed
EP-1447096-A1 REMEDIES FOR URINARY FREQUENCY ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 EP claimed
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US claimed
EP-1369129-A1 REMEDIES FOR DEPRESSION CONTAINING EP1 ANTAGONIST AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP claimed
EP-0835246-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-10-24 EP claimed
CN-1193963-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN claimed
EP-0835246-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-15 EP claimed
WO-1997000863-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO claimed
US-7335776-B2 Remedies for depression containing EP1 antagonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-26 US disclosed
US-20060100195-A1 Remedies for urinary frequency ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
EP-1447096-A1 REMEDIES FOR URINARY FREQUENCY ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 EP disclosed
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1369129-A1 REMEDIES FOR DEPRESSION CONTAINING EP1 ANTAGONIST AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP disclosed
US-6365603-B1 FOR THERAPY OF PAIN SUCH AS THE PAIN ASSOCIATED WITH JOINT CONDITIONS SUCH AS RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POSTOPERATIVE PAIN, POSTPARTUM PAIN, THE PAIN ASSOCIATED WITH DENTAL CONDITIONS SUCH AS DENTAL CARIES AND GINGIVITIS, ETC. ZENECA LTD. (GB) 2002-04-02 US disclosed
EP-0835246-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-10-24 EP disclosed
US-5994353-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1999-11-30 US disclosed
CN-1193963-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN disclosed
EP-0835246-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-15 EP disclosed
WO-1997000863-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed
EP-0000816-A1 Substituted amino-pyridine derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1979-02-21 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 (2 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-20060100195-A1 Remedies for urinary frequency PTGER1, PTGER2, PTGER3 ATM 4784/4885HDAC3 2381/4885HDAC1 1813/4885
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient PTGER1, PTGER2, PTGS1 ATM 3194/4885HDAC3 3344/4885HDAC1 2615/4885

“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.