SCHEMBL5158296

SCHEMBL5158296

NCc1cc(C(=O)O)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
HTR7 P34969 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
TP53 P04637 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
DAO P14920 1/20 0.33
PLAU P00749 1/20 0.33
TSHR P16473 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32

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
SCHEMBL27657375 0.79 NOTUM (0.52) NOTUMHTR7TDP1GAARAB9A
SCHEMBL25352675 0.79 NOTUM (0.52) NOTUMHTR7TDP1GAARAB9A
SCHEMBL5175623 0.76
SCHEMBL10936216 0.73 HCAR2 (0.50) NOTUMGAARAB9ADAOTSHR
SCHEMBL28608246 0.73 NOTUM (0.50) NOTUMTDP1GAARAB9ASMN1; SMN2
SCHEMBL9019247 0.72 HCAR2 (0.51) NOTUMALDH1A1MAPT
SCHEMBL1664053 0.69
SCHEMBL5175396 0.69
SCHEMBL70598 0.69 SMN1; SMN2 (0.62) NOTUMTDP1GAARAB9ASMN1; SMN2
SCHEMBL29159168 0.68 SMN1; SMN2 (0.56) NOTUMTDP1GAARAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria NORTHWESTERN UNIVERSITY (US) 2021-12-28 US disclosed
US-20200281880-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2020-09-10 US disclosed
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria NORTHWESTERN UNIVERSITY (US) 2020-04-28 US disclosed
US-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2018-04-12 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO 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 (4 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-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT NOTUM 778/4885HTR7 3432/4885TDP1 1275/4885
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT NOTUM 778/4885HTR7 3432/4885TDP1 1275/4885
US-20200281880-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT NOTUM 778/4885HTR7 3432/4885TDP1 1275/4885
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT NOTUM 778/4885HTR7 3432/4885TDP1 1275/4885

“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.