SCHEMBL16632075

SCHEMBL16632075

COC(=O)c1cc(Br)ccc1NC(=O)COCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPK10 P53779 2/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
PSMD14 O00487 1/20 0.46
MMP2 P08253 1/20 0.46
DNMT1 P26358 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPRC P08575 1/20 0.46

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
SCHEMBL1795511 0.87 ALDH1A1 (0.54) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL15647913 0.86 ALDH1A1 (0.64) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL1796641 0.86 ALDH1A1 (0.57) ALDH1A1GAAKMT2AMEN1NPSR1
SCHEMBL15649049 0.84 KDM4E (0.72) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL15647271 0.84 ALDH1A1 (0.72) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL30170803 0.84 KDM4E (0.52) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL1795508 0.83 ALDH1A1 (0.55) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL24076252 0.82 ALDH1A1 (0.50) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL30168574 0.82 ALDH1A1 (0.50) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL16651294 0.82 MEN1 (0.44) ALDH1A1GAAKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 EP disclosed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
EP-3057422-B1 QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-05-15 EP disclosed
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-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
WO-2015057203-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T 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
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-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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 (5 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-10369146-B2 Phenyl linked quinolinyl modulators of RORγt RORC, RORB, RORA ALDH1A1 900/4885GAA 3009/4885KMT2A 1278/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ALDH1A1 980/4885GAA 2763/4885KMT2A 1790/4885
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ALDH1A1 1295/4885GAA 3235/4885KMT2A 2279/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA ALDH1A1 1190/4885GAA 3572/4885KMT2A 1735/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ALDH1A1 1295/4885GAA 3235/4885KMT2A 2279/4885

“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.