SCHEMBL6770587

SCHEMBL6770587

O=C(Nc1ccccc1CBr)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.47
PPIA P62937 1/20 0.46
HTT P42858 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
HTR2A P28223 1/20 0.43
CTSL P07711 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
SCHEMBL11780366 0.87 RAB9A (0.55) RAB9ANPC1PPIAKMT2ASMN1; SMN2
SCHEMBL10490780 0.79 KMT2A (0.59) RAB9ANPC1PPIAHTTKMT2A
SCHEMBL2299040 0.77 IDO1 (0.58) RAB9ANPC1HTTALDH1A1HTR2A
SCHEMBL87044 0.77 POLB (0.61) RAB9ANPC1PPIAHTTKMT2A
SCHEMBL11161448 0.74 IDO1 (0.54) RAB9AHTTHDAC6ALDH1A1HTR2A
SCHEMBL11161443 0.74 IDO1 (0.54) RAB9AHTTALDH1A1HTR2A
SCHEMBL9524996 0.74 CXCR1 (0.60) RAB9ANPC1HDAC6KMT2AMEN1
SCHEMBL3048489 0.74 ALDH1A1 (0.57) RAB9ANPC1PPIAHTTKMT2A
SCHEMBL6672269 0.74 RAB9A (0.61) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL10825508 0.74 DPP8 (0.54) RAB9AHTTALDH1A1SMN1; SMN2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP 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 (1 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-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 RAB9A 1172/4885NPC1 2641/4885PPIA 3334/4885

“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.