SCHEMBL4540970

SCHEMBL4540970

CC(O)(O)c1n[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ GAA P10253 2/20 0.48
▸ PDPK1 O15530 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ IDO1 P14902 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ ALPL P05186 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ YTHDC1 Q96MU7 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MAP2K4 P45985 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ FLT3 P36888 3/20 0.39

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
SCHEMBL2616447 0.84 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL30471977 0.82 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL29868032 0.82 PDK2 (0.45) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL30471931 0.82 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL31708133 0.82 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL25418887 0.82 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL25216340 0.81 KDM4E (0.42) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL23797047 0.81 KDM4E (0.53) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL13266980 0.78 KDM4E (0.46) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL20132900 0.77 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638014-B1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR-GAMMA ACTIVITY AND THE TREATMENT OF DISEASES LYCERA CORP (US) 2017-01-04 — — EP disclosed
US-9512111-B2 N-sulfonylated tetrahydroquinolines and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2016-12-06 — — US disclosed
US-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2014-03-27 — — US disclosed
EP-2638014-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR ACTIVITY AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2013-09-18 — — EP disclosed
WO-2012064744-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORϒ ACTIVITY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2012-05-18 — — WO 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-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA KDM4E 2286/4885GAA 1571/4885PDPK1 2702/4885

“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.

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