SCHEMBL16650906

SCHEMBL16650906

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
GAA P10253 1/20 0.60
POLB P06746 2/20 0.51
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
PSMD14 O00487 1/20 0.47
MMP2 P08253 1/20 0.47
DNMT1 P26358 1/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
NR4A2 P43354 1/20 0.44

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
SCHEMBL4604562 0.88 ALDH1A1 (0.60) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL29441245 0.88 ALDH1A1 (0.60) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL7929900 0.87 ALDH1A1 (0.59) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL28327811 0.84 HPGD (0.58) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL30556513 0.84 RXFP1 (0.53) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL3457070 0.83 ALDH1A1 (0.67) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL8715955 0.83 POLB (0.76) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL5899451 0.83 ALDH1A1 (0.67) ALDH1A1GAAPOLBKDM4EL3MBTL1
SCHEMBL8689243 0.83 TDP1 (0.68) ALDH1A1POLBKMT2AKDM4ETDP1
SCHEMBL16651686 0.82 ALDH1A1 (0.54) ALDH1A1GAAPOLBKMT2AKDM4E

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
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

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 1295/4885GAA 3235/4885POLB 4407/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA ALDH1A1 1190/4885GAA 3572/4885POLB 3767/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ALDH1A1 1295/4885GAA 3235/4885POLB 4407/4885

“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.