SCHEMBL12775681

SCHEMBL12775681

CC(C)(C)Cc1cc2ccccc2nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CCR4 P51679 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTR3A P46098 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ GRN P28799 1/20 0.35
▸ SORT1 Q99523 1/20 0.35
▸ NQO2 P16083 1/20 0.34
▸ TLR8 Q9NR97 3/20 0.33
▸ NPC1 O15118 2/20 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
SCHEMBL3071109 0.80 ALDH1A1 (0.50) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL12737723 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL3063629 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL19952669 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL9591117 0.75 KMT2A (0.48) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL9934343 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL8161366 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL291342 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL13230292 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL24005828 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — 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 (3 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2800/4885ALDH1A1 344/4885HPGD 1080/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK KDM4E 3026/4885ALDH1A1 148/4885HPGD 18/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2800/4885ALDH1A1 344/4885HPGD 1080/4885

“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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