SCHEMBL5548656

SCHEMBL5548656

N#Cc1cc[c]c2c1oc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP19A1 P11511 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 2/20 0.35
ADORA2A P29274 1/20 0.35
MAPK10 P53779 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LIMK1 P53667 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 1/20 0.33
TNKS O95271 1/20 0.33
AHR P35869 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL21295668 0.75 ALDH1A1 (0.38) ALDH1A1KDM4ERXFP1SMN1; SMN2LIMK1
SCHEMBL15106546 0.74 CA1 (0.43) ALDH1A1KDM4ECYP19A1CYP17A1CYP11B1
SCHEMBL21295872 0.72 CDC14B (0.42) ALDH1A1KDM4ECYP19A1CYP17A1CYP11B1
SCHEMBL28468574 0.71 ALDH1A1 (0.40) ALDH1A1KDM4ENPSR1RXFP1SMN1; SMN2
SCHEMBL28477431 0.71 SMN1; SMN2 (0.35) ALDH1A1KDM4ESMN1; SMN2LIMK1LMNA
SCHEMBL28468586 0.71 ALDH1A1 (0.39) ALDH1A1KDM4EHTTSMN1; SMN2LIMK1
SCHEMBL8870463 0.70 CYP19A1 (0.36) CYP19A1
SCHEMBL5099 0.69 MAOA (0.48) ALDH1A1KDM4ESMN1; SMN2LIMK1RAB9A
SCHEMBL28701250 0.69 ALOX5 (0.39) ALDH1A1KDM4ESMN1; SMN2LIMK1LMNA
SCHEMBL7299420 0.68 CA1 (0.40) ALDH1A1KDM4EHTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
WO-2005075426-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-08-18 WO claimed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US disclosed
WO-2005075426-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-08-18 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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 ALDH1A1 1221/4885KDM4E 964/4885CYP19A1 3564/4885

“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.