SCHEMBL15364609

SCHEMBL15364609

Nc1ccccc1-c1ccc(Br)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
DHFR P00374 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
BACE1 P56817 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL29962162 0.82 AHR (0.54) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL331060 0.82 AHR (0.54) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL1300021 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL23502859 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL18238557 0.78 ESR2 (0.58) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL397260 0.78 PTGS2 (0.58) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL8098489 0.78 CYP3A4 (0.48) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL31161110 0.78 PTGS2 (0.58) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL1558220 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10L3MBTL1DHFRTSHR
SCHEMBL27354585 0.75 CYP1A2 (0.49) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640707-B1 5-HALOGENOPYRAZOLECARBOXAMIDES BAYER IP GMBH (DE) 2017-03-15 EP disclosed
US-9375004-B2 5-halogenopyrazolecarboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-20130296269-A1 5-Halogenopyrazolecarboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-07 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-20130296269-A1 5-Halogenopyrazolecarboxamides CYP3A5, CBR3, HDHD5 ALDH1A1 3455/4885HSD17B10 2688/4885L3MBTL1 2393/4885

“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.