SCHEMBL2892075

SCHEMBL2892075

Clc1[c]ccc(-n2cnnn2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.59
F2 P00734 1/20 0.55
MAPT P10636 2/20 0.46
KCNJ1 P48048 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 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
SCHEMBL13735260 0.81 NOTUM (0.49) NOTUMF2MAPTKCNJ1LMNA
SCHEMBL1460681 0.81 NOTUM (0.53) NOTUMF2MAPTKCNJ1LMNA
SCHEMBL28360315 0.75 NOTUM (0.59) NOTUMF2MAPTKCNJ1LMNA
SCHEMBL3819681 0.73 NOTUM (0.61) NOTUMF2LMNAMEN1KMT2A
SCHEMBL23655426 0.71 NOTUM (0.71) NOTUMF2MAPTKCNJ1LMNA
SCHEMBL12615985 0.71 NOTUM (0.78) NOTUMF2MAPTKCNJ1LMNA
SCHEMBL15872005 0.70 NOTUM (0.72) NOTUMF2MAPTKCNJ1LMNA
SCHEMBL1404600 0.68 NOTUM (0.55) NOTUMMAPTLMNAALDH1A1MEN1
SCHEMBL8702581 0.67 NOTUM (0.66) NOTUMF2MAPTKCNJ1LMNA
SCHEMBL14228219 0.67 NOTUM (0.66) NOTUMF2MAPTKCNJ1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687492-B2 1,2,4-Oxadiazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-30 US claimed
US-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-24 US claimed
CN-1950349-A 1,2, 4-oxadiazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2007-04-18 CN claimed
US-7687492-B2 1,2,4-Oxadiazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-30 US disclosed
US-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-24 US disclosed
CN-1950349-A 1,2, 4-oxadiazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2007-04-18 CN 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-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 NOTUM 1068/4885F2 2350/4885MAPT 4417/4885

“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.