SCHEMBL4495802

SCHEMBL4495802

COC(=O)c1ccc2nc(-c3c(-c4ccccc4)noc3C)cn2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
ALDH1A3 P47895 2/20 0.58
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 3/20 0.51
GLA P06280 1/20 0.51
BRD4 O60885 2/20 0.51
KMT2A Q03164 1/20 0.50
GABRA5 P31644 3/20 0.49
MAPK14 Q16539 1/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 3/20 0.44
MT-CO2 P00403 2/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL4509398 0.90 ALDH1A1 (0.50) ALDH1A1ALDH1A3NPC1RAB9AMAPT
SCHEMBL4506401 0.90 NPC1 (0.50) ALDH1A1ALDH1A3NPC1RAB9AMAPT
SCHEMBL4488302 0.86 ALDH1A1 (0.46) ALDH1A1ALDH1A3NPC1RAB9AMAPT
SCHEMBL4500011 0.83 SMN1; SMN2 (0.54) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL4493863 0.83 HPGDS (0.62) GABRA5MAPK14
SCHEMBL4490907 0.82 MAPK14 (0.45) ALDH1A1ALDH1A3NPC1RAB9AKDM4E
SCHEMBL4488743 0.82 HPGDS (0.43) ALDH1A1ALDH1A3NPC1RAB9AKDM4E
SCHEMBL4501838 0.82 NPC1 (0.61) ALDH1A1ALDH1A3NPC1RAB9AMAPT
SCHEMBL407421 0.82 ALDH1A1 (0.83) ALDH1A1ALDH1A3NPC1RAB9AMAPT
SCHEMBL4492709 0.82 HPGDS (0.58) GABRA5MAPK14

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 ALDH1A1 226/4885ALDH1A3 925/4885NPC1 1614/4885

“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.