SCHEMBL24542807

SCHEMBL24542807

Cc1cccc(-n2ncc3c(F)cc(NC(=O)[C@H]4NCC[C@@H]4O)cc32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 5/20 0.57
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ SPHK1 Q9NYA1 2/20 0.38

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
Hydrochloric Acid SCHEMBL29677153 0.99 KHK (0.56) KHKNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL24543239 0.85 KHK (0.79) KHKNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL29677303 0.84 KHK (0.78) KHKNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL24542819 0.76 KHK (0.44) KHKNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31177046 0.74 NPSR1 (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL31122438 0.74 NPSR1 (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL22567152 0.73 KHK (0.42) KHKNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21791906 0.73 KHK (1.00) KHKNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL22559620 0.73 KHK (0.42) KHKNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL22559617 0.73 KHK (0.42) KHKNPC1RAB9ASMN1; SMN2MAPT

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-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-23 — — 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-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases GCK, KHK, HK1 KHK 2/4885NPC1 275/4885RAB9A 2160/4885

“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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