SCHEMBL16645260

SCHEMBL16645260

CSc1nc2ccc(O)cc2c(Cl)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
ESRRB O95718 3/20 0.41
ESRRA P11474 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RORC P51449 3/20 0.40
FABP3 P05413 2/20 0.39
FABP4 P15090 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
FABP5 Q01469 1/20 0.39
PLA2G2A P14555 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR1I3 Q14994 1/20 0.37

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
SCHEMBL16645243 0.84 ESR1 (0.43) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL16645288 0.81 RORC (0.56) ESR1ESR2ESRRBESRRARORC
SCHEMBL16645170 0.78 RORC (0.52) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL10673740 0.69 KDM4E (0.53) ESR1ESR2KDM4EFABP3FABP4
SCHEMBL16645240 0.69 PDE4B (0.47) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL16645262 0.69 RORC (0.41) ESR1ESR2ESRRBESRRARORC
SCHEMBL16479373 0.69 ESR1 (0.43) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL16645242 0.68 RORC (0.48) ESR1ESR2ESRRBESRRARORC
SCHEMBL16645241 0.67 ESR1 (0.48) ESR1ESR2KDM4ERORCALDH1A1
SCHEMBL23674185 0.67 ESR2 (0.56) ESR1ESR2ESRRBESRRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 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 (2 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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA ESR1 1296/4885ESR2 427/4885ESRRB 84/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ESR1 1297/4885ESR2 653/4885ESRRB 126/4885

“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.