SCHEMBL31279587

SCHEMBL31279587

Cc1cccc(-n2ncc3ccc(C(=O)NC4CCNCC4)cc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 8/20 1.00
▸ TP53 P04637 2/20 0.52
▸ HPGDS O60760 2/20 0.51
▸ HPGD P15428 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ ACSS2 Q9NR19 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ DRD4 P21917 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPK10 P53779 1/20 0.43

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
SCHEMBL23711756 1.00 KHK (1.00) KHKTP53HPGDSHPGDMAPT
SCHEMBL23711773 0.90 KHK (1.00) KHKTP53HPGDSHPGDMAPT
SCHEMBL31279149 0.90 KHK (1.00) KHKTP53HPGDSHPGDMAPT
SCHEMBL31279611 0.89 KHK (1.00) KHKHPGDSMAPK14ACSS2
SCHEMBL23711737 0.89 KHK (1.00) KHKHPGDSMAPK14ACSS2
SCHEMBL23711755 0.82 KHK (0.79) KHKTP53HPGDSMAPK14ACSS2
SCHEMBL31279847 0.82 KHK (0.79) KHKTP53HPGDSMAPK14ACSS2
SCHEMBL23711768 0.81 KHK (0.67) KHKTP53HPGDNPC1RAB9A
SCHEMBL31278857 0.81 KHK (0.67) KHKTP53HPGDNPC1RAB9A
SCHEMBL23711723 0.78 KHK (1.00) KHKHPGDSMAPK14ACSS2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177348-A1 Methods for Fructokinase Meditation of Alcohol Craving and Alcohol Induced Liver Disease THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2025-06-05 — — US disclosed
US-12161621-B2 Methods for fructokinase mediation of alcohol craving and alcohol induced liver disease THE REGENTS OF THE UNIVERSITY OF COLORADO 2024-12-10 — — 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-12161621-B2 Methods for fructokinase mediation of alcohol craving and alcohol induced liver disease KHK, GCK, FN3K KHK 1/4885TP53 4864/4885HPGDS 3010/4885
US-20250177348-A1 Methods for Fructokinase Meditation of Alcohol Craving and Alcohol Induced Liver Disease KHK, GCK, FN3K KHK 1/4885TP53 4753/4885HPGDS 3587/4885

“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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