SCHEMBL5866864

SCHEMBL5866864

Cc1c(C(=NO)Nc2ccccc2)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
HCRTR1 O43613 2/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 6/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NFKB1 P19838 1/20 0.46
CCR6 P51684 1/20 0.46

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
SCHEMBL5866875 0.87 NPC1 (0.53) HTTLMNAMAPK1HCRTR1NPC1
SCHEMBL5866874 0.87 NPC1 (0.53) HTTLMNAMAPK1HCRTR1NPC1
SCHEMBL5866924 0.79 LMNA (0.79) HTTLMNAMAPK1HCRTR1NPC1
SCHEMBL5866859 0.73 IDO1 (0.45) HTTLMNAMAPK1NPC1RAB9A
SCHEMBL5866862 0.73 IDO1 (0.45) HTTLMNAMAPK1NPC1RAB9A
SCHEMBL442779 0.71 MCL1 (0.60) HTTLMNAMAPK1NPC1RAB9A
SCHEMBL443475 0.70 KDM4E (0.73) HTTLMNAMAPK1NPC1RAB9A
SCHEMBL2775857 0.70 LMNA (0.68) HTTLMNAMAPK1HCRTR1NPC1
Hydrochloric Acid SCHEMBL9789912 0.69 MCL1 (0.58) HTTLMNAMAPK1NPC1RAB9A
SCHEMBL15619119 0.68 KCNH2 (0.56) HTTLMNAMAPK1NPC1RAB9A

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 HTT 26/4885LMNA 4115/4885MAPK1 2595/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP HTT 638/4885LMNA 4203/4885MAPK1 3227/4885

“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.