SCHEMBL5800340

SCHEMBL5800340

Fc1ccc(-c2cc(-n3ccnc3)c3ccccc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.74
DHODH Q02127 1/20 0.56
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TOP1 P11387 2/20 0.46
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ACP1 P24666 2/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43

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
SCHEMBL26997351 0.91 DHODH (0.58) CYP19A1DHODHMAOAMAOBNPC1
SCHEMBL26997370 0.79 DHODH (0.47) CYP19A1DHODHMAOAMAOBNPC1
SCHEMBL29398665 0.79 MAOA (0.49) CYP19A1DHODHMAOAMAOBNPC1
SCHEMBL22191688 0.79 MAOA (0.49) CYP19A1DHODHMAOAMAOBNPC1
SCHEMBL25425228 0.79 MAOA (0.49) CYP19A1DHODHMAOAMAOBNPC1
SCHEMBL26998020 0.77 MAOA (0.50) CYP19A1DHODHMAOAMAOBNPC1
SCHEMBL26997345 0.75 NCF1 (0.52) CYP19A1DHODHMAPTHTTMAPK1
SCHEMBL12402661 0.74 CYP19A1 (0.80) CYP19A1DHODHTOP1KDM4EL3MBTL1
SCHEMBL8657096 0.73 TOP1 (0.63) CYP19A1DHODHTOP1KDM4EL3MBTL1
SCHEMBL8587249 0.72 IDO1 (0.45) CYP19A1DHODHKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 US claimed
WO-2006058201-A2 HETEROCYCLIC AND BICYCLIC COMPOUNDS, COMPOSITIONS AND METHODS REDDY US THERAPEUTICS, INC. (US) 2006-06-01 WO claimed
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 US disclosed
WO-2006058201-A2 HETEROCYCLIC AND BICYCLIC COMPOUNDS, COMPOSITIONS AND METHODS REDDY US THERAPEUTICS, INC. (US) 2006-06-01 WO 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG CYP19A1 863/4885DHODH 855/4885MAOA 1504/4885

“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.