SCHEMBL31368003

SCHEMBL31368003

O=c1[nH]c(N2CCCC2)nc2nn(-c3ccc(Br)cc3C(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.40
NOTUM Q6P988 1/20 0.36
PDE2A O00408 6/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SCD O00767 1/20 0.35
PTPN11 Q06124 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 1/20 0.33
TNKS O95271 1/20 0.33

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
SCHEMBL31367983 0.85 SCD (0.37) NOTUMPDE2APDE3BPDE3ASCD
SCHEMBL31368008 0.84 MGLL (0.41) ADORA1KDM4EMEN1ALDH1A1MAPT
SCHEMBL31367999 0.76 MEN1 (0.38) ADORA1KDM4EMEN1ALDH1A1MAPT
SCHEMBL31367985 0.76 HCAR1 (0.40) HCAR1NOTUMPDE2APDE3BPDE3A
SCHEMBL31367965 0.75 POLB (0.36) PDE3BPDE3ASCDPTPN11MEN1
SCHEMBL31368000 0.74 PDE2A (0.44) PDE2AKDM4EMEN1HPGDKMT2A
SCHEMBL31368007 0.74 NLRP3 (0.42) PDE2AADORA1KDM4EMEN1HPGD
SCHEMBL31368006 0.74 NLRP3 (0.42) PDE2AADORA1KDM4EMEN1HPGD
SCHEMBL31367988 0.74 ADORA1 (0.39) ADORA1KDM4EMEN1ALDH1A1HPGD
SCHEMBL29295043 0.73 NLRP3 (0.42) HCAR1NOTUMPDE2APDE3BPDE3A

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-20250092051-A1 NLRP3 MODULATORS AND USE THEREOF Bioentropy Inc. (US) 2025-03-20 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-20250092051-A1 NLRP3 MODULATORS AND USE THEREOF NLRP3, NLRP1, NOD1 HCAR1 41/4885NOTUM 3316/4885PDE2A 540/4885

“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.