SCHEMBL3752840

SCHEMBL3752840

N#Cc1ccc(OCC2=C(c3cccnc3)CC(c3ccc(Cl)cc3Cl)C([N+](=O)[O-])C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.39
KDM1A O60341 1/20 0.34
VCP P55072 3/20 0.34
CYP19A1 P11511 2/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP11B2 P19099 6/20 0.33
INPPL1 O15357 1/20 0.33
GRM5 P41594 1/20 0.33
ESR1 P03372 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP17A1 P05093 1/20 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
SCHEMBL3752836 1.00 CYP11B1 (0.39) CYP11B1KDM1AVCPCYP19A1ALDH1A1
SCHEMBL3752846 1.00 CYP11B1 (0.39) CYP11B1KDM1AVCPCYP19A1ALDH1A1
SCHEMBL3750123 0.91 GRM5 (0.35) CYP11B1CYP19A1ALDH1A1LMNAMAPT
SCHEMBL3750112 0.91 GRM5 (0.35) CYP11B1CYP19A1ALDH1A1LMNAMAPT
SCHEMBL3750118 0.91 GRM5 (0.35) CYP11B1CYP19A1ALDH1A1LMNAMAPT
SCHEMBL3744945 0.90 MAOB (0.34) CYP19A1ALDH1A1MAPT
SCHEMBL3744938 0.90 MAOB (0.34) CYP19A1ALDH1A1MAPT
SCHEMBL3744944 0.90 MAOB (0.34) CYP19A1ALDH1A1MAPT
SCHEMBL3751685 0.86 CYP11B1 (0.38) CYP11B1KDM1AVCPCYP19A1ALDH1A1
SCHEMBL3751690 0.86 CYP11B1 (0.38) CYP11B1KDM1AVCPCYP19A1ALDH1A1

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-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CYP11B1 2314/4885KDM1A 2597/4885VCP 1990/4885

“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.