SCHEMBL729680

SCHEMBL729680

O=C(OCc1ccc2ccccc2c1)N1CC(O)C(F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOX P28300 3/20 0.39
LOXL3 P58215 3/20 0.39
LOXL2 Q9Y4K0 3/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP8 Q14790 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL729681 1.00 F13A1 (0.43) F13A1TGM2TGM1GBA1UGCG
SCHEMBL729096 0.90 SMN1; SMN2 (0.45) F13A1TGM2TGM1GBA1UGCG
SCHEMBL729892 0.90 SMN1; SMN2 (0.45) F13A1TGM2TGM1GBA1UGCG
SCHEMBL729095 0.90 SMN1; SMN2 (0.45) F13A1TGM2TGM1GBA1UGCG
SCHEMBL731037 0.84 SMN1; SMN2 (0.55) F13A1TGM2TGM1NPC1RAB9A
SCHEMBL731036 0.84 SMN1; SMN2 (0.55) F13A1TGM2TGM1NPC1RAB9A
SCHEMBL12347282 0.84 SMN1; SMN2 (0.55) F13A1TGM2TGM1NPC1RAB9A
SCHEMBL30014096 0.84 SMN1; SMN2 (0.55) F13A1TGM2TGM1NPC1RAB9A
SCHEMBL731881 0.81 F13A1 (0.45) F13A1TGM2TGM1NPC1RAB9A
SCHEMBL731880 0.81 F13A1 (0.45) F13A1TGM2TGM1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137184-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-05-08 EP disclosed
US-8138181-B2 Imidazo[1,2-a]pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-03-20 US disclosed
US-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-04 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-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 F13A1 1765/4885TGM2 4536/4885TGM1 3556/4885

“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.