SCHEMBL16632818

SCHEMBL16632818

CN(C)c1ccc(Cc2c(O)nc3ccc(I)cc3c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.42
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
G6PD P11413 1/20 0.39
CCR6 P51684 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
CTNNB1 P35222 2/20 0.34
TCF7L2 Q9NQB0 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL16632989 0.86 KDM4E (0.37) MAPTALDH1A1CYP3A4
SCHEMBL15648913 0.80 VKORC1 (0.42)
SCHEMBL16632844 0.78 RORC (0.45) APPMAPTALDH1A1CYP3A4TSHR
SCHEMBL16632782 0.75 RORC (0.40) MAPTALDH1A1
SCHEMBL16633051 0.75 RORC (0.43)
SCHEMBL16632992 0.75 ENPP2 (0.41) MAPTCYP3A4TSHR
SCHEMBL16632773 0.74 RORC (0.50) APP
SCHEMBL16652421 0.69 CCNC (0.30)
SCHEMBL16632973 0.68 CCNC (0.38) MAPTALDH1A1TSHR
SCHEMBL16632923 0.68 VKORC1 (0.42) MAPTALDH1A1TSHRMAPK1TDP1

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 APP 2650/4885MAPT 2110/4885ALDH1A1 1026/4885

“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.