SCHEMBL16632923

SCHEMBL16632923

CSc1ccc(Cc2c(O)nc3ccc(Br)cc3c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 2/20 0.42
PDE7A Q13946 1/20 0.36
RXFP1 Q9HBX9 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PRNP P04156 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGDR Q13258 1/20 0.33
LMNA P02545 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL16632857 0.78 CYP2C19 (0.50) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15648541 0.74 NT5E (0.43)
SCHEMBL16460893 0.71 RORC (0.41) VKORC1RXFP1CYP1A2CYP2D6CYP2C9
SCHEMBL16460911 0.71 CYP1A2 (0.45) VKORC1RXFP1CYP1A2CYP2D6CYP2C9
SCHEMBL16632989 0.70 KDM4E (0.37) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL16640755 0.69 LMNA (0.41) VKORC1RXFP1ALDH1A1MAPTKDM4E
SCHEMBL16633125 0.68 NT5E (0.42) VKORC1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15363404 0.68 SLC6A4 (0.38) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16632818 0.68 APP (0.42) ALDH1A1MAPTMAPK1TSHRTDP1
SCHEMBL16632633 0.67 RORC (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE 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 (1 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-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB VKORC1 864/4885PDE7A 1456/4885RXFP1 82/4885

“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.