SCHEMBL1630446

SCHEMBL1630446

Oc1cc(F)ccc1-c1ccnn1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
OXTR P30559 1/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NR3C2 P08235 2/20 0.43
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
ARF6 P62330 2/20 0.39
HSP90AA1 P07900 2/20 0.39
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL1630406 0.89 KDM5A (0.44) MEN1KMT2AOXTRATMMAPT
SCHEMBL1631593 0.86 KDM5A (0.41) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL1629062 0.86 MAPT (0.52) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL1631555 0.85 MEN1 (0.57) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL1628566 0.85 HSP90AA1 (0.49) MEN1KMT2AMAPTNR3C2KDM4A
SCHEMBL1630307 0.85 NR3C2 (0.46) MEN1KMT2AATMALDH1A1NR3C2
SCHEMBL1628786 0.83 KDM4A (0.40) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL1630513 0.83 MAPT (0.41) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL1630493 0.82 NR3C2 (0.44) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL1631430 0.82 KDM4C (0.56) MEN1KMT2ANR3C2KDM4AKDM5A

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
CN-101006061-A 1,5-diphenylpyrazoles MERCK PATENT GMBH (DE) 2007-07-25 CN 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
CN-101006061-A 1,5-diphenylpyrazoles MERCK PATENT GMBH (DE) 2007-07-25 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-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P MEN1 4538/4885KMT2A 4362/4885OXTR 4413/4885

“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.