SCHEMBL23734315

SCHEMBL23734315

O=C(CN1CC(C(=O)Cl)C1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ S1PR5 Q9H228 3/20 0.48
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ S1PR1 P21453 2/20 0.44
▸ GRIN2B Q13224 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ ACVR1 Q04771 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ SLC15A1 P46059 1/20 0.41

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
SCHEMBL23054258 0.88 S1PR5 (0.57) ALDH1A1MAPK1L3MBTL1S1PR5CYP2C19
SCHEMBL19966271 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL19557165 0.83 LTA4H (0.46) ALDH1A1MAPK1L3MBTL1S1PR5CYP2C19
SCHEMBL21397345 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL10859364 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL19604406 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL24970558 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1S1PR5CYP2C19
SCHEMBL19934909 0.81 FUCA1 (0.55) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2
SCHEMBL19778180 0.80 HPGD (0.44) ALDH1A1MAPK1L3MBTL1S1PR5CYP2C19
SCHEMBL21440361 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1CYP2C19CYP1A2

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-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 — — 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 (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-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 ALDH1A1 1281/4885MAPK1 981/4885L3MBTL1 1732/4885

“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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