SCHEMBL1630223

SCHEMBL1630223

Cc1ccc(-n2nccc2-c2ccc(O)cc2O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 3/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 1/20 0.37
STAT1 P42224 1/20 0.37
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALK Q9UM73 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
SCHEMBL1630345 0.88 MAPT (0.51) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL1630513 0.87 MAPT (0.41) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL1630444 0.82 ALDH1A1 (0.55) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL1631555 0.82 MEN1 (0.57) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL1628955 0.81 MEN1 (0.44) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL1630140 0.79 MEN1 (0.43) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL1631556 0.78 ESR1 (0.56) ALDH1A1ATMMEN1KMT2ANPC1
SCHEMBL1629166 0.78 NR3C2 (0.47) MAPTALDH1A1ATMNPC1RAB9A
SCHEMBL1628980 0.77 NT5E (0.44) SMN1; SMN2NPC1RAB9AESR1NT5E
SCHEMBL1630310 0.76 MEN1 (0.40) MAPTALDH1A1ATMMEN1KMT2A

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 5 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-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

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.