SCHEMBL8918334

SCHEMBL8918334

Nc1ccc2c(c1)OC1=CC(N)C=CC1=C2c1ccccc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ USP2 O75604 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ BRCA1 P38398 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ YWHAG P61981 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FOLH1 Q04609 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ CYP3A4 P08684 3/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ MAPT P10636 3/20 0.30
▸ KDM4E B2RXH2 3/20 0.30

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
SCHEMBL19117713 0.89 CYP2C9 (0.34) CYP2C9MEN1KMT2ATDP1USP2
SCHEMBL16768860 0.88 CYP2C9 (0.34) CYP2C9MEN1KMT2ATDP1USP2
SCHEMBL19274347 0.84 KDM4E (0.31) MEN1KMT2ATDP1MAPTKDM4E
SCHEMBL18874580 0.83 KDM4E (0.33) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15031009 0.79 TRPV1 (0.40) CYP2C9KMT2AMAPTALDH1A1PKM
SCHEMBL22193121 0.77 HSD17B10 (0.47) CYP2C9MEN1KMT2ATDP1USP2
SCHEMBL13866571 0.77 POLB (0.39) CYP2C9MEN1KMT2ATDP1USP2
SCHEMBL27517452 0.76 POLB (0.45) CYP2C9MEN1KMT2ATDP1USP2
SCHEMBL12810686 0.75 CYP2C9 (0.39) CYP2C9MEN1KMT2ATDP1USP2
SCHEMBL23135781 0.75 MYC (0.32) MEN1KMT2ATDP1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198333-A1 COMPOUNDS AND METHODS FOR DETECTION OF ENZYMES THAT REMOVE FORMYL, SUCCINYL, METHYL SUCCINYL OR MYRISTOYL GROUPS FROM EPSILON-AMINO LYSINE MOIETIES ENZO LIFE SCIENCES, INC. (US) 2017-07-13 — — US disclosed
US-20170198333-A1 COMPOUNDS AND METHODS FOR DETECTION OF ENZYMES THAT REMOVE FORMYL, SUCCINYL, METHYL SUCCINYL OR MYRISTOYL GROUPS FROM EPSILON-AMINO LYSINE MOIETIES ENZO LIFE SCIENCES, INC. (US) 2017-07-13 — — US disclosed
US-20170157272-A1 FLUORESCENT PROBE FOR DETECTING DIPEPTIDYL PEPTIDASE IV THE UNIVERSITY OF TOKYO (JP) 2017-06-08 — — US disclosed
US-20170157272-A1 FLUORESCENT PROBE FOR DETECTING DIPEPTIDYL PEPTIDASE IV THE UNIVERSITY OF TOKYO (JP) 2017-06-08 — — US disclosed
EP-2507252-B1 HEAT-SENSITIVE SPIN-TRANSITION MATERIALS DOPED WITH ONE OR MORE FLUORESCENT AGENTS CENTRE NAT RECH SCIENT (FR) 2016-02-17 — — EP disclosed
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 — — US disclosed
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 — — US disclosed
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 — — US disclosed
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 — — US disclosed
US-8466286-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. (US) 2013-06-18 — — US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 — — US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 — — US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 — — US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 — — US disclosed
US-8008088-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-08-30 — — US disclosed
US-20110111446-A1 THIOL DETECTION METHOD RIKEN (JP) 2011-05-12 — — US disclosed
US-20110111446-A1 THIOL DETECTION METHOD RIKEN (JP) 2011-05-12 — — US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 — — US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 — — US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 — — 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 (7 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-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF OGG1, UNG, MPG CYP2C9 1499/4885MEN1 3062/4885KMT2A 707/4885
US-20110111446-A1 THIOL DETECTION METHOD TST, GSTA1, TMT1A CYP2C9 404/4885MEN1 4672/4885KMT2A 2586/4885
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 CYP2C9 1673/4885MEN1 606/4885KMT2A 3286/4885
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 CYP2C9 1673/4885MEN1 606/4885KMT2A 3286/4885
US-20170198333-A1 COMPOUNDS AND METHODS FOR DETECTION OF ENZYMES THAT REMOVE FORMYL, SUCCINYL, METHYL SUCCINYL OR MYRISTOYL GROUPS FROM EPSILON-AMINO LYSINE MOIETIES EMG1, SPR, SHMT1 CYP2C9 3081/4885MEN1 2189/4885KMT2A 574/4885
US-20170157272-A1 FLUORESCENT PROBE FOR DETECTING DIPEPTIDYL PEPTIDASE IV DPP4, DPP7, DPP3 CYP2C9 3084/4885MEN1 3096/4885KMT2A 2722/4885
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 CYP2C9 1673/4885MEN1 606/4885KMT2A 3286/4885

“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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