SCHEMBL16652146

SCHEMBL16652146

COC(=O)c1ccc2nc(OC)c(CO)c(Cl)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
RORC P51449 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CSNK2A1 P68400 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL16651818 0.89 ALDH1A1 (0.52) ALDH1A1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL16651588 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL16651246 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL16652157 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL16651113 0.80 CYP1A2 (0.55) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL15648101 0.80 RORC (0.61) RORC
SCHEMBL16632933 0.79 RORC (0.50) RORC
SCHEMBL16662107 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL16633075 0.79 KIF11 (0.46) ALDH1A1L3MBTL1TP53RORCPLA2G2A
SCHEMBL16650746 0.78 RORC (0.55) ALDH1A1L3MBTL1TP53HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057422-B1 QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-05-15 EP disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
EP-3057422-A1 QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica NV (BE) 2016-08-24 EP disclosed
WO-2015057626-A1 QUINOLINYL MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 US disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 US disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 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 (3 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-20150111870-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ALDH1A1 1295/4885L3MBTL1 1327/4885NPC1 2454/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA ALDH1A1 1190/4885L3MBTL1 1213/4885NPC1 2137/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ALDH1A1 1295/4885L3MBTL1 1327/4885NPC1 2454/4885

“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.