SCHEMBL15664802

SCHEMBL15664802

CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MDM2 Q00987 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MMP8 P22894 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AR P10275 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 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
SCHEMBL15714322 0.95 NPC1 (0.54) MAPTMDM2CRHBPCRHR2MMP8
SCHEMBL2672728 0.87 MAPT (0.59) MAPTCRHBPCRHR2MMP8L3MBTL1
SCHEMBL6250712 0.85 MDM2 (0.69) MAPTMDM2MMP8L3MBTL1ALDH1A1
SCHEMBL960875 0.83 MAPT (0.55) MAPTCRHBPCRHR2MMP8L3MBTL1
SCHEMBL9001515 0.82 MAPT (0.54) MAPTCRHBPCRHR2MMP8L3MBTL1
SCHEMBL27429943 0.81 LDHA (0.59) MAPTMDM2MMP8L3MBTL1ALDH1A1
SCHEMBL3097166 0.80 ALDH1A1 (0.52) MAPTCRHBPCRHR2MMP8L3MBTL1
SCHEMBL17895425 0.80 CA2 (0.62) MDM2MMP8
SCHEMBL3936094 0.80 RAB9A (0.60) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL7609219 0.80 RAB9A (0.60) MAPTALDH1A1KDM4EGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128418-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTING AND TREATING OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-05-08 US disclosed
EP-2682392-A2 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTING AND TREATING OSTEOPOROSIS CONTAINING SAME EWHA University-Industry Collaboration Foundation (KR) 2014-01-08 EP 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-20140128418-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTING AND TREATING OSTEOPOROSIS CONTAINING SAME PTH1R, SOST, CYP24A1 MAPT 3279/4885MDM2 3428/4885CRHBP 3416/4885

“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.