SCHEMBL7802228

SCHEMBL7802228

O=C(c1ccc(F)cc1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.63
KMT2A Q03164 2/20 0.61
ATM Q13315 1/20 0.61
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
PTGS2 P35354 1/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 2/20 0.55
APP P05067 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
POLB P06746 1/20 0.55
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
SARM1 Q6SZW1 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53

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
SCHEMBL29691445 1.00 LTA4H (0.63) LTA4HKMT2AATMCYP11B1CYP11B2
SCHEMBL29915528 0.86 ALDH1A1 (0.71) KMT2AATMCYP11B1CYP11B2GAA
SCHEMBL1242243 0.86 ALDH1A1 (0.71) KMT2AATMCYP11B1CYP11B2GAA
SCHEMBL10841082 0.85 KMT2A (0.61) KMT2AATMCYP11B1CYP11B2PTGS2
SCHEMBL30706508 0.84 ALDH1A1 (0.69) KMT2AATMPTGS2GAAALDH1A1
SCHEMBL125431 0.84 ALDH1A1 (0.69) KMT2AATMPTGS2GAAALDH1A1
Hydrochloric Acid SCHEMBL27841975 0.84 ALDH1A1 (0.68) KMT2AATMCYP11B1CYP11B2GAA
SCHEMBL10487075 0.84 ALDH1A1 (0.53) KMT2AATMPTGS2GAAALDH1A1
SCHEMBL9313117 0.83 ESR1 (0.59) KMT2AGAAALDH1A1APPHCAR3
SCHEMBL8054770 0.83 ALDH1A1 (0.74) KMT2AGAAALDH1A1APPHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2295988-A None JP disclosed
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 EP disclosed
EP-2909193-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-04-19 EP disclosed
US-9309222-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-04-12 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
EP-2909192-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica, N.V. (BE) 2015-08-26 EP disclosed
EP-2909193-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2015-08-26 EP disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-4880808-A SEDATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-14 US disclosed
EP-0110435-B1 NOVEL ((BIS(ARYL)METHYLENE)-1-PIPERIDINYL)ALKYL-PYRIMIDINONES JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 EP disclosed
US-4581171-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1986-04-08 US disclosed
US-4533665-A SEROTONIN ANTAGONIST JANSSEN PHARMACEUTICA (BE) 1985-08-06 US disclosed
US-4485107-A SEDATIVES, MUSCLE RELAXANTS JANSSEN PHARMACEUTICA N.V. (BE) 1984-11-27 US disclosed
EP-0110435-A1 Novel ((bis(aryl)methylene)-1-piperidinyl)alkyl-pyrimidinones JANSSEN PHARMACEUTICA N.V. (BE) 1984-06-13 EP disclosed
US-4064132-A ANTIINFLAMMATORY AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1977-12-20 US disclosed
US-4060528-A ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-11-29 US disclosed
US-4035376-A ESTERS, AMIDES, HYDROXAMIC ACIDS, ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 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 LTA4H 2355/4885KMT2A 1176/4885ATM 4831/4885

“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.