SCHEMBL5866862

SCHEMBL5866862

Cc1c(C(=Nc2ccccc2)NO)oc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL5866859 1.00 IDO1 (0.45) IDO1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5866876 0.86 IDO1 (0.64) IDO1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5866864 0.73 HTT (0.52) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL14880019 0.73 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL4088045 0.71 KMT2A (0.53) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL442779 0.71 MCL1 (0.60) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL29185900 0.71 KMT2A (0.53) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL114250 0.71 KMT2A (0.60) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL30128878 0.71 KMT2A (0.53) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL21325542 0.69 KMT2A (0.51) NPC1RAB9ASMN1; SMN2TP53TSHR

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 IDO1 3464/4885NPC1 2881/4885RAB9A 941/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP IDO1 3821/4885NPC1 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.