SCHEMBL5866875

SCHEMBL5866875

Cc1c(C(=NO)Nc2cccc(Cl)c2)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
THRB P10828 2/20 0.47
MAPT P10636 6/20 0.45
MAP3K5 Q99683 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HCRTR1 O43613 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL5866874 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL5866864 0.87 HTT (0.52) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL5866876 0.77 IDO1 (0.64) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL7588273 0.70 THRB (0.42) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL5866919 0.69 MAPT (0.45) NPC1RAB9ATP53TSHRMEN1
SCHEMBL5866920 0.69 MAPT (0.45) NPC1RAB9ATP53TSHRMEN1
SCHEMBL5866890 0.69 KCNQ2 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5866892 0.69 KCNQ2 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5866924 0.67 LMNA (0.79) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2773514 0.67 KMT2A (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148259-B1 Antibacterial agents AMGEN INC. (US) 2006-12-12 US disclosed
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
US-20020045749-A1 Antibacterial agents AMGEN INC. 2002-04-18 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 (3 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
US-20020045749-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.