SCHEMBL17025614

SCHEMBL17025614

Nn1c(=O)c(-c2ccccc2)c(F)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ GAA P10253 1/20 0.39
▸ MAPK14 Q16539 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL17025680 0.76 LMNA (0.40) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL6532206 0.73 KDM4E (0.49) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL26169830 0.69 KMT2A (0.42) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL24735865 0.69 IL1R1 (0.44) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL7419183 0.66 ALDH1A1 (0.45) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL13060362 0.65 ALDH1A1 (0.54) KMT2ALMNASMN1; SMN2KDM4EGAA
SCHEMBL2118514 0.64 HSP90AA1 (0.39) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL257566 0.64 GPR3 (0.52) KMT2ALMNASMN1; SMN2KDM4EGAA
SCHEMBL3396642 0.63 ALDH1A1 (0.37) LMNASMN1; SMN2KDM4EMAPK14ALDH1A1
SCHEMBL5332174 0.63 KMT2A (0.67) KMT2ALMNASMN1; SMN2KDM4ERCE1

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-9464055-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 — — US disclosed
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 — — US disclosed
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 — — 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-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 KMT2A 3398/4885LMNA 3459/4885SMN1; SMN2 2701/4885
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 KMT2A 3398/4885LMNA 3459/4885SMN1; SMN2 2701/4885

“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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