SCHEMBL4501121

SCHEMBL4501121

Cc1onc(-c2ccccc2)c1-c1cn2cc(Cl)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
PTGS1 P23219 3/20 0.51
PTGS2 P35354 3/20 0.51
ALDH1A1 P00352 5/20 0.50
ALDH1A3 P47895 2/20 0.50
MAPT P10636 5/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
CDK5 Q00535 1/20 0.47
KMT2A Q03164 1/20 0.47
CDK5R1 Q15078 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
BRD4 O60885 2/20 0.45
APP P05067 1/20 0.45

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
SCHEMBL4501838 0.89 NPC1 (0.61) RAB9ANPC1PTGS1PTGS2ALDH1A1
SCHEMBL4509374 0.85 PTGS2 (0.51) RAB9ANPC1PTGS1PTGS2ALDH1A1
SCHEMBL4502951 0.85 PTGS2 (0.51) RAB9ANPC1PTGS1PTGS2ALDH1A1
SCHEMBL4493095 0.85 PTGS2 (0.51) RAB9ANPC1PTGS1PTGS2ALDH1A1
SCHEMBL4486580 0.85 PTGS2 (0.51) RAB9ANPC1PTGS1PTGS2ALDH1A1
SCHEMBL4490855 0.84 PTGS2 (0.55) RAB9ANPC1PTGS1PTGS2ALDH1A1
SCHEMBL4509398 0.83 ALDH1A1 (0.50) RAB9ANPC1PTGS1PTGS2ALDH1A1
SCHEMBL4507697 0.82 PTGS2 (0.48) RAB9ANPC1PTGS1PTGS2ALDH1A1
SCHEMBL4486783 0.82 ALDH1A3 (0.53) RAB9ANPC1PTGS1PTGS2ALDH1A1
SCHEMBL4503855 0.82 PTGS2 (0.48) RAB9ANPC1PTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585874-B2 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-08 US claimed
EP-1979350-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE VIA GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
US-20070179178-A1 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 US claimed
WO-2007082806-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER’S DISEASE VIA GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
US-7585874-B2 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-08 US disclosed
EP-1979350-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE VIA GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
US-20070179178-A1 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
WO-2007082806-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER’S DISEASE VIA GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 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 (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-20070179178-A1 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives GABRA5, GABRA4, GABRA1 RAB9A 1607/4885NPC1 1614/4885PTGS1 2316/4885

“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.