SCHEMBL5866855

SCHEMBL5866855

COc1ccc2oc(C(=NO)Nc3cccc(Cl)c3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
FADS1 O60427 1/20 0.46
POLB P06746 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL5866852 1.00 MAOB (0.60) MAOBNPC1RAB9AMAPTTP53
SCHEMBL5866768 0.88 FADS1 (0.48) MAOBNPC1RAB9AMAPTTP53
SCHEMBL5866770 0.88 FADS1 (0.48) MAOBNPC1RAB9AMAPTTP53
SCHEMBL5866763 0.87 MAOB (0.56) MAOBNPC1RAB9AMAPTTP53
SCHEMBL5866919 0.87 MAPT (0.45) MAOBNPC1RAB9AMAPTTP53
SCHEMBL5866920 0.87 MAPT (0.45) MAOBNPC1RAB9AMAPTTP53
SCHEMBL5935550 0.79 HTT (0.53) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL5935552 0.79 HTT (0.53) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL5866934 0.78 BCAT1 (0.47) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL5866846 0.78 MEN1 (0.52) MAOBNPC1RAB9AMAPTSMN1; SMN2

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 MAOB 876/4885NPC1 2881/4885RAB9A 941/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP MAOB 1286/4885NPC1 2994/4885RAB9A 1357/4885

“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.