SCHEMBL7035833

SCHEMBL7035833

[CH2]c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 7/20 0.45
LMNA P02545 5/20 0.45
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SLC2A1 P11166 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
XDH P47989 1/20 0.40
AGTR1 P30556 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL8974165 0.91 NPC1 (0.53) NPC1RAB9AMAPTLMNAADRA2A
SCHEMBL27617094 0.89 RAB9A (0.56) NPC1RAB9AMAPTLMNAADRA2A
SCHEMBL7035834 0.83 ACHE (0.57) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL1772578 0.83 MAPT (0.54) NPC1RAB9AMAPTLMNAADRA2A
SCHEMBL22164075 0.83 ELANE (0.48) NPC1RAB9AMAPTLMNAADRA2A
SCHEMBL8702382 0.83 MEN1 (0.56) NPC1RAB9AMAPTLMNAADRA2A
SCHEMBL6510195 0.83 MAPT (0.54) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL28596462 0.83 ALDH1A1 (0.57) NPC1RAB9AMAPTLMNAADRA2A
SCHEMBL71038 0.82 LMNA (0.54) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL16835964 0.81 MAPT (0.47) NPC1RAB9AMAPTLMNAADRA2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1310934-C Erythromycin 6-O-carbamoylketolide derivatives useful as antibacterial agents ORTHO MCNEIL PHARM INC (US) 2007-04-18 CN disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
CN-1543472-A 6-o-carbamoyl ketolide antibacterials ����-������ҩƷ��˾ 2004-11-03 CN disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 NPC1 3291/4885RAB9A 485/4885MAPT 3982/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E NPC1 3251/4885RAB9A 442/4885MAPT 4095/4885

“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.