SCHEMBL6539443

SCHEMBL6539443

CC(C)n1nc(C2=C(c3ccccc3Br)NC(=O)CC2)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.34
HSD11B1 P28845 1/20 0.33
SRD5A1 P18405 1/20 0.33
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
DDB1 Q16531 3/20 0.31
HRH3 Q9Y5N1 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 1/20 0.30
OPRM1 P35372 1/20 0.30
IKZF3 Q9UKT9 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6539109 0.84 CRBN (0.38) CRBNDDB1ALDH1A1
SCHEMBL6539323 0.83 DDB1 (0.40) CRBNHSD11B1BMPR1BBMPR1ATGFBR1
SCHEMBL6539242 0.77 HTR2A (0.39) CRBNHSD11B1SRD5A1BMPR1BBMPR1A
SCHEMBL6539735 0.75 HTR2A (0.41) CRBNHSD11B1BMPR1BBMPR1ATGFBR1
SCHEMBL6538291 0.74 BRD4 (0.39) CRBNDDB1
SCHEMBL6538958 0.72 HCAR1 (0.32) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6538913 0.69 HSD17B10 (0.33) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL5152779 0.68 USP8 (0.46) ALDH1A1CYP1A2
SCHEMBL5152670 0.68 ADORA2A (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6133826 0.67 CLK1 (0.36) HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 CRBN 2729/4885HSD11B1 2160/4885SRD5A1 1620/4885

“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.