SCHEMBL4820844

SCHEMBL4820844

COc1ccccc1CNc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.72
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.65
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
HTT P42858 2/20 0.57
HDAC1 Q13547 2/20 0.55
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL10388545 0.84 HIF1A (0.74) HIF1AMEN1KMT2AHTTKDM4E
SCHEMBL30287924 0.84 HIF1A (0.74) HIF1AMEN1KMT2AHTTKDM4E
SCHEMBL14043638 0.84 KDM4C (0.55) HIF1AMEN1KMT2ASMN1; SMN2CA1
SCHEMBL11262326 0.83 MEN1 (0.55) HIF1AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5446291 0.83 HIF1A (0.69) HIF1AMEN1KMT2ASMN1; SMN2HTT
SCHEMBL29563605 0.82 MEN1 (0.53) HIF1AMEN1KMT2ASMN1; SMN2CA1
SCHEMBL5905900 0.82 MEN1 (0.53) HIF1AMEN1KMT2ASMN1; SMN2CA1
SCHEMBL14044002 0.82 MAPT (0.75) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL20897447 0.82 HDAC3 (0.56) HIF1AMEN1KMT2ASMN1; SMN2CA1
SCHEMBL21639656 0.82 CA1 (0.72) HIF1AMEN1KMT2ASMN1; SMN2CA1

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 19 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
US-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 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 (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 HIF1A 2485/4885MEN1 3010/4885KMT2A 1708/4885
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient PTGER1, PTGER2, PTGS1 HIF1A 604/4885MEN1 4168/4885KMT2A 3878/4885

“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.