SCHEMBL1629062

SCHEMBL1629062

Cc1ccc(-n2nccc2-c2ccc(F)cc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ATM Q13315 1/20 0.52
NR3C2 P08235 2/20 0.43
KDM4A O75164 2/20 0.41
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
ESR1 P03372 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
NPBWR1 P48145 3/20 0.39
MCHR1 Q99705 3/20 0.39
HSP90AA1 P07900 2/20 0.39
ALK Q9UM73 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL1631593 0.86 KDM5A (0.41) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL1630446 0.86 MEN1 (0.55) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL1628566 0.85 HSP90AA1 (0.49) MAPTNR3C2KDM4AKDM5AKDM4C
SCHEMBL1630444 0.85 ALDH1A1 (0.55) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL1631424 0.85 MAPT (0.55) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL1628786 0.83 KDM4A (0.40) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL1630513 0.83 MAPT (0.41) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL1630493 0.82 NR3C2 (0.44) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL1631430 0.82 KDM4C (0.56) NR3C2KDM4AKDM5AKDM4CKDM5B
SCHEMBL1631607 0.82 POLB (0.44) NR3C2KDM4AKDM5AKDM4CKDM5B

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
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP claimed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US claimed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP claimed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 WO claimed
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP disclosed
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 US disclosed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US disclosed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP disclosed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 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-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P MAPT 2299/4885ALDH1A1 777/4885ATM 2619/4885

“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.