SCHEMBL1157243

SCHEMBL1157243

O=Nc1cccc(CO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 11/20 0.53
▸ NOS2 P35228 7/20 0.53
▸ NOS3 P29474 5/20 0.53
▸ PRKCI P41743 1/20 0.46
▸ ENPP2 Q13822 1/20 0.45
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MPI P34949 1/20 0.39
▸ GALK1 P51570 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.39
▸ DAO P14920 1/20 0.38

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
SCHEMBL12094155 0.83 TDP1 (0.46) NOS1NOS2NOS3ALDH1A1MAPT
SCHEMBL9362866 0.82 NOS1 (0.56) NOS1NOS2NOS3PRKCIENPP2
SCHEMBL9362872 0.82 NOS1 (0.56) NOS1NOS2NOS3PRKCIENPP2
SCHEMBL13283718 0.80 CYP4A11 (0.46) NOS1NOS2NOS3
SCHEMBL8439706 0.78 TRPA1 (0.42) NOS1NOS2NOS3TSHRALDH1A1
SCHEMBL11982706 0.78 SIGMAR1 (0.47) NOS1NOS2
SCHEMBL8440754 0.78 TSHR (0.46) NOS1NOS2NOS3TSHR
SCHEMBL10134884 0.78 NOS1 (0.58) NOS1NOS2NOS3ENPP2
SCHEMBL14028969 0.78 NOS1 (0.36) NOS1NOS2NOS3
SCHEMBL13715502 0.78 NOS1 (0.41) NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567143-B1 ANTHRANILIC ACID AMIDES AND THE DERIVATIVES THEREOF AS COSMETIC AND PHARMACEUTICAL AGENTS SYMRISE AG (DE) 2013-08-14 — — EP disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 — — US disclosed
US-8153632-B2 Oxygen linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-04-10 — — US disclosed
US-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH ASTRAZENECA AB (SE) 2011-08-25 — — US disclosed
US-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 — — US disclosed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 — — US disclosed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 — — US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 — — US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 — — US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 — — 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 (6 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-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 NOS1 1769/4885NOS2 1689/4885NOS3 1487/4885
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 NOS1 804/4885NOS2 846/4885NOS3 410/4885
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX GABRB1, GABRB2, GABRB3 NOS1 2439/4885NOS2 1862/4885NOS3 2231/4885
US-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH VHL, TPMT, NNMT NOS1 2153/4885NOS2 1348/4885NOS3 1317/4885
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 NOS1 1769/4885NOS2 1689/4885NOS3 1487/4885
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 NOS1 3873/4885NOS2 3287/4885NOS3 3084/4885

“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.

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