SCHEMBL69157

SCHEMBL69157

COC(=O)c1cc(-c2ccccc2)on1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.72
TP53 P04637 1/20 0.72
ALDH1A1 P00352 5/20 0.67
NOTUM Q6P988 2/20 0.64
MAPK1 P28482 1/20 0.64
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
PKM P14618 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
STAT3 P40763 1/20 0.60
STAT1 P42224 1/20 0.60
LMNA P02545 1/20 0.60
PPARG P37231 1/20 0.60
NCOA2 Q15596 1/20 0.60
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
RECQL P46063 1/20 0.56

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
SCHEMBL5621967 0.89 NOTUM (0.67) MAPTTP53ALDH1A1NOTUMMAPK1
SCHEMBL15498742 0.85 TP53 (0.75) MAPTTP53ALDH1A1NOTUMMAPK1
SCHEMBL2960641 0.84 NOTUM (0.62) MAPTTP53ALDH1A1NOTUMMAPK1
SCHEMBL19814196 0.84 MAPT (0.73) MAPTTP53ALDH1A1NOTUMMAPK1
SCHEMBL20507141 0.84 HPGD (0.75) MAPTTP53ALDH1A1NOTUMMAPK1
SCHEMBL28393948 0.84 TP53 (1.00) MAPTTP53ALDH1A1NOTUMMAPK1
SCHEMBL6970965 0.83 ALDH1A1 (0.67) MAPTTP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL5620616 0.83 MAPT (0.72) MAPTTP53ALDH1A1NOTUMMAPK1
SCHEMBL4051030 0.83 NOTUM (0.60) MAPTTP53ALDH1A1NOTUMMAPK1
SCHEMBL1545189 0.83 NOTUM (0.68) MAPTTP53ALDH1A1NOTUMMAPK1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501200-B Organic small molecule with recognition effect on ammonia water, methylamine and aniline and recognition method thereof 河南工程学院 2020-05-15 CN claimed
EP-3388428-B1 FIVE-MEMBERED HETEROCYCLIC AMIDES WNT PATHWAY INHIBITOR SUZHOU SINOVENT PHARMACEUTICALS COMPANY (CN) 2021-08-04 EP disclosed
US-10821104-B2 Five-membered heterocyclic amides WNT pathway inhibitor Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-11-03 US disclosed
CN-107501200-B Organic small molecule with recognition effect on ammonia water, methylamine and aniline and recognition method thereof 河南工程学院 2020-05-15 CN disclosed
CN-107501200-B Organic small molecule with recognition effect on ammonia water, methylamine and aniline and recognition method thereof 河南工程学院 2020-05-15 CN disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
CN-107501200-A Organic small molecule with recognition effect on ammonia water, methylamine and aniline and recognition method thereof 河南工程学院 2017-12-22 CN disclosed
CN-107501200-A Organic small molecule with recognition effect on ammonia water, methylamine and aniline and recognition method thereof 河南工程学院 2017-12-22 CN disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed
US-3939167-A 3-(2-Methylthio-2-tertiary aminoacetyl)-5-phenylisoxazoles SHIONOGI & CO., LTD. (JA) 1976-02-17 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 MAPT 1620/4885TP53 2732/4885ALDH1A1 185/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 MAPT 1167/4885TP53 4884/4885ALDH1A1 2602/4885
US-10821104-B2 Five-membered heterocyclic amides WNT pathway inhibitor WNT1, WNT3, WNT3A MAPT 2278/4885TP53 319/4885ALDH1A1 2714/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 MAPT 740/4885TP53 4878/4885ALDH1A1 4066/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 MAPT 780/4885TP53 4878/4885ALDH1A1 3875/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 MAPT 780/4885TP53 4878/4885ALDH1A1 3875/4885

“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.