SCHEMBL21044774

SCHEMBL21044774

Nc1c(Br)cc(F)cc1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.47
ADORA1 P30542 1/20 0.45
MAPK14 Q16539 2/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
PBRM1 Q86U86 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 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
SCHEMBL29612169 1.00 MAPT (0.53) MAPTPOLBGAAADORA1MAPK14
SCHEMBL10691843 0.83 MAPT (0.65) MAPTPOLBGAAADORA1LMNA
SCHEMBL30410518 0.79 KEAP1 (0.50) MAPTPOLBGAAMEN1USP2
SCHEMBL951409 0.79 KEAP1 (0.50) MAPTPOLBGAAMEN1USP2
SCHEMBL1790829 0.78 MAPT (0.49) MAPTPOLBGAAMEN1USP2
SCHEMBL11638597 0.78 MAPT (0.49) MAPTPOLBGAAMAPK14MEN1
Hydrochloric Acid SCHEMBL11626269 0.78 KEAP1 (0.48) MAPTPOLBGAAMEN1USP2
SCHEMBL25197720 0.77 MAPT (0.49) MAPTPOLBGAAADORA1LMNA
SCHEMBL9749155 0.77 ABCB11 (0.51) MAPTGAAADORA1LMNA
SCHEMBL15792959 0.77 MAPT (0.56) MAPTPOLBGAAADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3492452-B1 PRODUCTION METHOD FOR PYRAZOLE-AMIDE COMPOUND JAPAN TOBACCO INC (JP) 2022-08-31 EP disclosed
US-10981877-B2 Production method for pyrazole-amide compound JAPAN TOBACCO INC. (JP) 2021-04-20 US disclosed
US-10981877-B2 Production method for pyrazole-amide compound JAPAN TOBACCO INC. (JP) 2021-04-20 US disclosed
EP-3492452-A1 PRODUCTION METHOD FOR PYRAZOLE-AMIDE COMPOUND Japan Tobacco, Inc. (JP) 2019-06-05 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-10981877-B2 Production method for pyrazole-amide compound AADAC, NAT1, SIRT3 MAPT 623/4885POLB 2581/4885GAA 1547/4885

“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.