SCHEMBL21893553

SCHEMBL21893553

Cc1cc2nc(C)c(C(=O)O)n2cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
PDE10A Q9Y233 1/20 0.34
KMO O15229 1/20 0.34
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
PIM1 P11309 1/20 0.33
EPHB3 P54753 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL28615144 0.98 GAA (0.36) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
Potassium Ion SCHEMBL21818216 0.85 GAA (0.35) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL24654893 0.76 ESR1 (0.45) ALDH1A1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL21819132 0.76 ALDH1A1 (0.47) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL16447604 0.75 SMN1; SMN2 (0.46) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL19723761 0.72 TGFBR1 (0.47) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL2931119 0.72 ALDH1A1 (0.54) ALDH1A1GAAPOLBKMT2ASMN1; SMN2
SCHEMBL21893458 0.72 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2NPC1LMNA
SCHEMBL17437946 0.72 TGFBR1 (0.41) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL21893930 0.72 F11 (0.35) ALDH1A1GAAKMT2ASMN1; SMN2KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO 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 (3 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 ALDH1A1 312/4885GAA 94/4885POLB 2269/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885GAA 94/4885POLB 2269/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885GAA 94/4885POLB 2269/4885

“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.