SCHEMBL30020105

SCHEMBL30020105

Cc1ncc(Br)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
CYP2A6 P11509 1/20 0.43
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
PRNP P04156 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
MAPK10 P53779 1/20 0.35
CYP1A2 P05177 2/20 0.35
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL2345378 1.00 PLAU (0.47) PLAUCYP2A6GPR3ALDH1A1SMN1; SMN2
SCHEMBL19762264 0.77 NPC1 (0.35) CYP2A6ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL1446736 0.76 PLAU (0.50) PLAUGPR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL7260889 0.76 PLAU (0.50) PLAUGPR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL639134 0.76 CYP1A2 (0.50) PLAUCYP2A6GPR3ALDH1A1SMN1; SMN2
SCHEMBL29751039 0.76 PLAU (0.50) PLAUGPR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL18980400 0.75 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL13945549 0.74 PLAU (0.48) PLAUGPR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL18430900 0.74 PLAU (0.48) PLAUCYP2A6GPR3ALDH1A1SMN1; SMN2
SCHEMBL12930803 0.74 PLAU (0.50) PLAUCYP2A6ALDH1A1SMN1; SMN2MEN1

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-11479546-B2 Antimalarial hexahydropyrimidine analogues UCB Biopharma SRL 2022-10-25 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-11479546-B2 Antimalarial hexahydropyrimidine analogues G6PD, DPYD, DHODH PLAU 1432/4885CYP2A6 355/4885GPR3 2580/4885

“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.