SCHEMBL2098554

SCHEMBL2098554

Nc1cccc(C2c3ccccc3Oc3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
CYP2C9 P11712 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 3/20 0.40
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38

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
SCHEMBL13576598 0.84 CYP3A4 (0.50) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL40368 0.80 CYP2C9 (0.55) MAOAMAOBCYP2C9ATMMEN1
SCHEMBL9626987 0.79 CHEK1 (0.50) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL28252707 0.79 MAOA (0.48) MAOAMAOBCYP2C9ATMMEN1
SCHEMBL6138419 0.79 CYP3A4 (0.44) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL28932548 0.74 MAOA (0.44) MAOAMAOBCYP2C9ATMMEN1
SCHEMBL24402162 0.74 GAA (0.56) MAOAMAOBCYP2C9MEN1KMT2A
SCHEMBL6241456 0.74 CYP2C9 (0.42) MAOAMAOBCYP2C9ATMMEN1
SCHEMBL18826566 0.74 DRD2 (0.40) MAOAMAOBCYP2C9ATMMEN1
SCHEMBL14550991 0.72 MAOA (0.45) MAOAMAOBCYP2C9ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163910-B2 Amide-substituted xanthene dyes ELITECH HOLDING B.V. (NL) 2012-04-24 US disclosed
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 US disclosed
WO-2009046165-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 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-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 MAOA 2024/4885MAOB 1696/4885CYP2C9 4083/4885

“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.