SCHEMBL4585380

SCHEMBL4585380

O=Cc1cccc([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTR1A P08908 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
ERN1 O75460 1/20 0.49
ATM Q13315 1/20 0.46
PIN1 Q13526 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.44
AR P10275 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CCNB2 O95067 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
SCHEMBL27388637 0.86 HTR1A (0.55) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL7811547 0.86 HTR1A (0.49) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL3099586 0.85 NPC1 (0.49) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL12300713 0.84 HTR1A (0.50) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL27896296 0.83 NPC1 (0.45) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL28877513 0.83 CCNB2 (0.53) NPC1RAB9AMEN1KMT2AERN1
SCHEMBL27879445 0.82 MAOB (0.45) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL31056274 0.81 ERN1 (0.49) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL8026956 0.81 POLB (0.49) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL4164822 0.80 ERN1 (0.53) NPC1RAB9AMEN1KMT2AERN1

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-7317107-B2 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2005-07-21 US disclosed
EP-1474421-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP disclosed
WO-2003068768-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO 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-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ADA, AMPD2, AMPD1 NPC1 1630/4885RAB9A 2624/4885MEN1 3000/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 NPC1 1205/4885RAB9A 2738/4885MEN1 4301/4885

“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.