SCHEMBL3349873

SCHEMBL3349873

CN(CC(=O)O)c1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.53
CYP2A13 Q16696 1/20 0.53
ALDH1A1 P00352 5/20 0.50
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
HSD17B3 P37058 1/20 0.42
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
EGFR P00533 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TYR P14679 1/20 0.35

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
SCHEMBL11890709 0.84 CYP2A6 (0.41) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL2557220 0.84 CYP2A6 (0.52) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL13339137 0.82 CYP2A6 (0.59) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL8384383 0.82 CYP2A6 (0.50) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL342255 0.81 ALDH1A1 (0.59) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL28634016 0.81 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL2555022 0.81 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL29279286 0.80 ALDH1A1 (0.69) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL3348892 0.79 KEAP1 (0.54) ALDH1A1CA12CA1CA2CA9
SCHEMBL797850 0.79 CA2 (0.43) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567445-B 2-phenyl-3H-imidazo [4,5-B ] pyridine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity 坎塞拉有限公司 2021-06-29 CN disclosed
EP-3253754-B1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2021-03-31 EP disclosed
US-10550113-B2 2-phenyl-3H-imidazo[4,5-B]pyridine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity KANCERA AB (SE) 2020-02-04 US disclosed
US-20180002329-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2018-01-04 US disclosed
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 WO disclosed
US-20150368261-A1 CONJUGATES AND SMALL MOLECULES WHICH INTERACT WITH THE CD16A RECEPTOR BIOINTEGRATOR LTD LIABILITY COMPANY (RU) 2015-12-24 US disclosed
US-20150368261-A1 CONJUGATES AND SMALL MOLECULES WHICH INTERACT WITH THE CD16A RECEPTOR BIOINTEGRATOR LTD LIABILITY COMPANY (RU) 2015-12-24 US disclosed
EP-2947074-A1 CONJUGATES AND SMALL MOLECULES WHICH INTERACT WITH THE CD16A RECEPTOR "Biointegrator" Limited Liability Company (OOO "Biointegrator") (RU) 2015-11-25 EP disclosed
EP-2070988-B1 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using this dye ORÉAL L (FR) 2014-12-10 EP disclosed
WO-2014112898-A1 CONJUGATES AND SMALL MOLECULES WHICH INTERACT WITH THE CD16A RECEPTOR ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "БИОИНТЕГРАТОР" (ООО "БИОИНТЕГРАТОР") (RU) 2014-07-24 WO disclosed
US-7717964-B2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using same L'OREAL S.A. (FR) 2010-05-18 US disclosed
US-7717964-B2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using same L'OREAL S.A. (FR) 2010-05-18 US disclosed
US-7717964-B2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using same L'OREAL S.A. (FR) 2010-05-18 US disclosed
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME L'OREAL S.A. (FR) 2009-07-09 US disclosed
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME L'OREAL S.A. (FR) 2009-07-09 US disclosed
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME L'OREAL S.A. (FR) 2009-07-09 US disclosed
EP-2070988-A2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using this dye L'Oréal (FR) 2009-06-17 EP disclosed
WO-2009037348-A1 INDOLINIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISNG THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 WO disclosed
WO-2009010694-A2 DYEING METHOD USING A STYRYL- OR IMINE-TYPE DISULFIDE/THIOL COMPOUND AND STIMULI, COMPOSITION AND DEVICE FOR IMPLEMENTING SAME L'OREAL (FR) 2009-01-22 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-10550113-B2 2-phenyl-3H-imidazo[4,5-B]pyridine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity ROR1, RORB, RORA CYP2A6 1431/4885CYP2A13 622/4885ALDH1A1 317/4885
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME KRT18, TST, CYBA CYP2A6 1682/4885CYP2A13 2896/4885ALDH1A1 283/4885
US-20180002329-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY ROR1, RORB, RORA CYP2A6 1431/4885CYP2A13 622/4885ALDH1A1 317/4885
US-20150368261-A1 CONJUGATES AND SMALL MOLECULES WHICH INTERACT WITH THE CD16A RECEPTOR FCGR1A, FCGR2A, FCGR3B CYP2A6 1695/4885CYP2A13 2899/4885ALDH1A1 1182/4885

“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.