SCHEMBL12003370

SCHEMBL12003370

COc1ccc(-c2cc(O)n(-c3ccccn3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.55
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
SLC11A2 P49281 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IDH1 O75874 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ACP1 P24666 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL12003356 0.99 NPY5R (0.54) NPY5RALDH1A1KDM4EHPGDLMNA
SCHEMBL16857580 0.87 SLC16A3 (0.51) NPY5RALDH1A1KDM4EHPGDLMNA
SCHEMBL12003457 0.85 ALDH1A1 (0.53) NPY5RALDH1A1KDM4EHPGDLMNA
SCHEMBL12003459 0.85 PDCD1 (0.49) NPY5RALDH1A1KDM4EHPGDHTT
SCHEMBL12018161 0.84 ALDH1A1 (0.55) NPY5RALDH1A1KDM4EHPGDLMNA
SCHEMBL6345119 0.84 NPY5R (0.73) NPY5RALDH1A1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL15609960 0.83 ALDH1A1 (0.54) NPY5RALDH1A1KDM4EHPGDLMNA
SCHEMBL6449553 0.83 ALDH1A1 (0.61) NPY5RALDH1A1KDM4EHPGDLMNA
SCHEMBL12003334 0.82 ALDH1A1 (0.45) NPY5RALDH1A1HPGDLMNASLC11A2
SCHEMBL12003407 0.82 SMN1; SMN2 (0.47) ALDH1A1KDM4ELMNAPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000176-B2 Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same EWHA University—Industry Collaboration Foundation (KR) 2015-04-07 US claimed
US-20140088152-A1 COMPOSITION FOR PREVENTING AND TREATING CARDIOVASCULAR DISEASES, CONTAINING PYRAZOLE DERIVATIVE EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-03-27 US claimed
US-20140066404-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-03-06 US claimed
US-20120220550-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY- INDUSTRY COLLABORATION FOUNDATION (KR) 2012-08-30 US claimed
US-9000176-B2 Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same EWHA University—Industry Collaboration Foundation (KR) 2015-04-07 US disclosed
US-20140088152-A1 COMPOSITION FOR PREVENTING AND TREATING CARDIOVASCULAR DISEASES, CONTAINING PYRAZOLE DERIVATIVE EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-03-27 US disclosed
US-20140066404-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-03-06 US disclosed
US-8604210-B2 Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2013-12-10 US disclosed
US-20120220550-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY- INDUSTRY COLLABORATION FOUNDATION (KR) 2012-08-30 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 (3 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-20120220550-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME PTH1R, VDR, SOST NPY5R 414/4885ALDH1A1 2869/4885KDM4E 1561/4885
US-20140066404-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME PTH1R, VDR, SOST NPY5R 414/4885ALDH1A1 2869/4885KDM4E 1561/4885
US-20140088152-A1 COMPOSITION FOR PREVENTING AND TREATING CARDIOVASCULAR DISEASES, CONTAINING PYRAZOLE DERIVATIVE FABP3, PPARD, SIRT3 NPY5R 1615/4885ALDH1A1 2049/4885KDM4E 2587/4885

“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.