SCHEMBL13323748

SCHEMBL13323748

C=C(Oc1ccc2c(c1)OCO2)C(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ TSHR P16473 2/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CASP3 P42574 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
SCHEMBL2656339 0.82 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL13323735 0.79 MAPT (0.48) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL2660231 0.68 ADORA2A (0.47) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL13323753 0.68 RAB9A (0.45) SMN1; SMN2KMT2AALDH1A1MEN1LMNA
SCHEMBL24101689 0.67 NPC1 (0.73) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL2660279 0.67 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL24101684 0.66 NPC1 (0.80) SMN1; SMN2MAPTALDH1A1LMNATSHR
SCHEMBL2660257 0.66 GCK (0.53) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL2655488 0.64 GCK (0.55) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL13323711 0.64 LMNA (0.41) SMN1; SMN2KMT2AMAPTALDH1A1MEN1

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-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-06-10 — — 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-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION GCK, GCKR, GALK1 SMN1; SMN2 3208/4885KMT2A 1480/4885MAPT 3149/4885

“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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