SCHEMBL5358994

SCHEMBL5358994

O=C(Nc1ccccc1Cc1ccccc1C(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PKM P14618 2/20 0.58
MAPT P10636 1/20 0.57
GRIK1 P39086 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
DHODH Q02127 1/20 0.56
LTC4S Q16873 1/20 0.56
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
PTGER4 P35408 1/20 0.52
TSHR P16473 1/20 0.51
BACE1 P56817 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3559571 0.84 SLC16A3 (0.83) SLC16A3MEN1KMT2APKMMAPT
SCHEMBL11742197 0.83 PTGER4 (0.56) SLC16A3KMT2APTGER4TSHRNPC1
SCHEMBL5350937 0.81 SLC16A3 (0.75) SLC16A3MEN1KMT2AMAPTPTGER4
SCHEMBL31053873 0.81 MEN1 (0.83) MEN1KMT2APKMMAPTGRIK1
SCHEMBL414754 0.81 MEN1 (0.83) MEN1KMT2APKMMAPTGRIK1
SCHEMBL29519264 0.81 MEN1 (0.61) SLC16A3MEN1KMT2APKMMAPT
SCHEMBL14856037 0.81 KMT2A (0.63) SLC16A3MEN1KMT2APKMMAPT
SCHEMBL7036183 0.80 PTGER4 (0.53) SLC16A3MEN1KMT2APTGER4TSHR
SCHEMBL8439303 0.80 MEN1 (0.80) MEN1KMT2APKMMAPTGRIK1
SCHEMBL69352 0.79 TSHR (0.68) MAPTTSHRSMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235955-A1 Remedies for pruritus ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-25 US claimed
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-07-01 US claimed
US-6710205-B2 ANTIALLERGENS; ANTICANCER AGENTS; AUTOIMMUNE DISEASES; BONE DISORDERS; RHEUMATIC DISEASES; ANTIULCER AGENTS; SKIN DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US claimed
US-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US claimed
EP-1258473-A1 BENZOIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP claimed
US-4062875-A FROM 2-ACYLAMINO-2'-CARBOXY-DIPHENYLMETHANE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-13 US claimed
US-7196198-B2 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-27 US disclosed
US-20040235955-A1 Remedies for pruritus ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-25 US disclosed
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-07-01 US disclosed
EP-1426059-A1 REMEDIES FOR PRURITUS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-09 EP disclosed
US-6710205-B2 ANTIALLERGENS; ANTICANCER AGENTS; AUTOIMMUNE DISEASES; BONE DISORDERS; RHEUMATIC DISEASES; ANTIULCER AGENTS; SKIN DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US disclosed
US-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US disclosed
EP-1258473-A1 BENZOIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 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 (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-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ALOX5, PDGFRB, ALOX15B SLC16A3 4806/4885MEN1 1416/4885KMT2A 2119/4885
US-20040235955-A1 Remedies for pruritus PTGER3, PTGER2, PTGER1 SLC16A3 2428/4885MEN1 4545/4885KMT2A 2878/4885
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PDGFRB, ALOX5, ALOX15B SLC16A3 4836/4885MEN1 1455/4885KMT2A 2076/4885

“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.