SCHEMBL5867065

SCHEMBL5867065

ON=C(Nc1ccccc1)c1cc2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.63
RAB9A P51151 10/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
TP53 P04637 7/20 0.63
PKM P14618 3/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 5/20 0.50
TSHR P16473 5/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALPG P10696 1/20 0.50
FLT3 P36888 1/20 0.49
DDX3X O00571 1/20 0.48

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
SCHEMBL5866934 0.84 BCAT1 (0.47) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL5866763 0.81 MAOB (0.56) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL5867017 0.79 F12 (0.58) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL5866982 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL28921522 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL5866919 0.77 MAPT (0.45) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL5866920 0.77 MAPT (0.45) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL7706872 0.73 FLT3 (0.58) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL5866948 0.73 CYP1A2 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5867063 0.72 IDO1 (0.52) NPC1RAB9ASMN1; SMN2TP53PKM

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-20060270651-A1 ANTIBACTERIAL AGENTS AMGEN INC. (US) 2006-11-30 US disclosed
US-7053234-B2 Antibacterial agents AMGEN INC. (US) 2006-05-30 US disclosed
US-20040235911-A1 hydroxyamidines; antibiotic resistance TULARIK INC. 2004-11-25 US disclosed
US-6780858-B2 Antibacterial agents TULARIK INC. 2004-08-24 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 (2 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-20040235911-A1 hydroxyamidines; antibiotic resistance HNMT, HDHD5, ABCC1 NPC1 2881/4885RAB9A 941/4885SMN1; SMN2 2862/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP NPC1 2994/4885RAB9A 1357/4885SMN1; SMN2 3304/4885

“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.