SCHEMBL25839890

SCHEMBL25839890

CNc1ccc2c(c1)OC(C)(F)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KIF11 P52732 3/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 2/20 0.33
TP53 P04637 1/20 0.33
BRAF P15056 4/20 0.32
KIT P10721 2/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL14626209 0.86 KIF11 (0.47) NPC1HPGDRAB9ASMN1; SMN2CYP1A2
SCHEMBL3359576 0.86 KIF11 (0.47) NPC1RAB9ASMN1; SMN2KIF11ADORA3
Hydrochloric Acid SCHEMBL20502848 0.85 KIF11 (0.46) NPC1RAB9ASMN1; SMN2KIF11ADORA3
SCHEMBL16311077 0.80 ADORA3 (0.40) NPC1HPGDRAB9ASMN1; SMN2CYP1A2
SCHEMBL27435402 0.75 NPC1 (0.37) NPC1HPGDRAB9ASMN1; SMN2CYP1A2
SCHEMBL2666085 0.74 TSHR (0.37) HPGDSMN1; SMN2CYP1A2TSHRALDH1A1
SCHEMBL17973952 0.72 MAPT (0.42) TSHRALDH1A1MAPTRECQLTP53
SCHEMBL2708355 0.69 ALOX5 (0.35) TSHRMAPTTP53
SCHEMBL4547924 0.69 LMNA (0.35) HPGDTSHRALDH1A1PDK2HSD17B10
SCHEMBL25505996 0.69 ALOX15 (0.40) NPC1HPGDRAB9ASMN1; SMN2CYP1A2

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-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-07-20 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-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPAR1, LPL NPC1 884/4885HPGD 1695/4885RAB9A 1800/4885

“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.