SCHEMBL6539323

SCHEMBL6539323

CC(C)n1nc(C2=C(c3ccccc3)NC(=O)CC2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.40
CRBN Q96SW2 3/20 0.40
HSD11B1 P28845 1/20 0.39
TP53 P04637 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KDM4E B2RXH2 2/20 0.33
SLC5A1 P13866 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL6539242 0.88 HTR2A (0.39) DDB1CRBNHSD11B1HTR2AHTR2C
SCHEMBL6539735 0.86 HTR2A (0.41) DDB1CRBNHSD11B1TP53HTR2A
SCHEMBL6538291 0.84 BRD4 (0.39) DDB1CRBNPOLB
SCHEMBL6539443 0.83 CRBN (0.34) DDB1CRBNHSD11B1BMPR1BBMPR1A
SCHEMBL6539184 0.82 DDB1 (0.36) DDB1CRBNHTR2AHTR2CHTR2B
SCHEMBL6539109 0.82 CRBN (0.38) DDB1CRBNALDH1A1HPGD
SCHEMBL6538928 0.80 ADORA2A (0.45) DDB1CRBNHSD11B1BMPR1BBMPR1A
SCHEMBL6538737 0.78 BMPR1A (0.38) DDB1CRBNHSD11B1TP53HTR2A
SCHEMBL6538762 0.75 TP53 (0.38) HSD11B1TP53POLBKDM4ESLC5A1
SCHEMBL6538387 0.72 LMNA (0.39) DDB1CRBNSMN1; SMN2KDM4EADORA2A

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 DDB1 3086/4885CRBN 2729/4885HSD11B1 2160/4885

“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.