SCHEMBL30467641

SCHEMBL30467641

COc1cc(Br)cc2nncc(O)c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.40
ERN1 O75460 5/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
APP P05067 2/20 0.36
PDE10A Q9Y233 4/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IGF1R P08069 1/20 0.32
GAA P10253 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
SCHEMBL24253045 1.00 NQO2 (0.40) NQO2ERN1ALOX15ALOX12APP
SCHEMBL24252469 0.81 NQO2 (0.40) NQO2ERN1ALOX15ALOX12PDE10A
SCHEMBL30467653 0.81 NQO2 (0.40) NQO2ERN1ALOX15ALOX12PDE10A
SCHEMBL24252435 0.78 NQO2 (0.35) NQO2
SCHEMBL30467651 0.78 NQO2 (0.35) NQO2
SCHEMBL23589218 0.78 CYP3A4 (0.38) NQO2ALOX15ALOX12MEN1KMT2A
SCHEMBL24478455 0.74 NQO2 (0.40) NQO2ERN1ALOX15ALOX12APP
Hydrochloric Acid SCHEMBL29015516 0.73
SCHEMBL30626099 0.73 ALDH1A1 (0.46) NQO2ALOX15ALOX12PDE10AALDH1A1
Hydrochloric Acid SCHEMBL29665252 0.73 NQO2 (0.39) NQO2ERN1ALOX15ALOX12APP

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-20240109920-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF ANNEXON, INC. 2024-04-04 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-20240109920-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF CFB, CFH, C9 NQO2 279/4885ERN1 3015/4885ALOX15 106/4885

“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.