SCHEMBL24656113

SCHEMBL24656113

CCc1cc2nccnc2cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ SHMT2 P34897 1/20 0.33
▸ BRAF P15056 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ EGFR P00533 1/20 0.30

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
SCHEMBL11793260 0.84 NOS3 (0.41) HTTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL24338021 0.80 ALDH1A1 (0.38) HTTKDM4EALDH1A1ALOX15MAPK10
SCHEMBL24924714 0.78 HTT (0.39) HTTKDM4EALDH1A1ALOX15NOS3
SCHEMBL13676644 0.77 MET (0.46) ALDH1A1POLB
SCHEMBL15445181 0.77 NOS3 (0.47) HTTKDM4EALDH1A1NOS3NOS1
SCHEMBL22872004 0.77 LMNA (0.34) ALDH1A1ALOX15HSD17B10
Ammonia Solution, Strong SCHEMBL28864710 0.76 MET (0.46) ALDH1A1POLB
SCHEMBL19489957 0.75 DPP4 (0.39) —
SCHEMBL8709873 0.75 ALDH1A1 (0.47) HTTKDM4EALDH1A1ALOX15MAPK10
SCHEMBL24446591 0.74 NOS3 (0.35) KDM4EALDH1A1HSD17B10NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 — — 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HTT 3293/4885KDM4E 2437/4885ALDH1A1 312/4885

“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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