SCHEMBL7930381

SCHEMBL7930381

O=Cc1cc([N+](=O)[O-])ccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.56
RAB9A P51151 3/20 0.55
POLB P06746 1/20 0.55
PTGS2 P35354 2/20 0.52
PTPRC P08575 3/20 0.47
S100A4 P26447 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CES1 P23141 1/20 0.47
ELANE P08246 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 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
SCHEMBL4262386 0.87 PTGS2 (0.52) ERN1RAB9APOLBPTGS2PTPRC
SCHEMBL31098731 0.86 ERN1 (0.67) ERN1POLBPTPRCS100A4BCHE
SCHEMBL12798324 0.86 ERN1 (0.67) ERN1POLBPTPRCS100A4BCHE
SCHEMBL5511292 0.84 ERN1 (0.53) ERN1RAB9APOLBPTGS2PTPRC
SCHEMBL18094643 0.83 TDP2 (0.49) RAB9APTGS2PTPRCALDH1A1NPC1
SCHEMBL16586874 0.81 ALOX5 (0.43) ERN1RAB9APOLBPTGS2ALDH1A1
SCHEMBL6391559 0.80 PTGS2 (0.69) RAB9APOLBPTGS2PTPRCS100A4
SCHEMBL28207049 0.80 PTGS2 (0.73) RAB9APOLBPTGS2PTPRCS100A4
SCHEMBL7137309 0.80 ERN1 (0.52) ERN1RAB9APOLBPTGS2ELANE
SCHEMBL7907202 0.79 ALDH1A1 (0.51) ERN1POLBPTPRCS100A4BCHE

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-20010020104-A1 Process for preparing substituted benzyl compounds and toluene derivatives CLARIANT GMBH 2001-09-06 US disclosed
EP-1127861-A1 Method to synthesise substituted benzyl and toluene compounds Clariant GmbH (DE) 2001-08-29 EP disclosed
US-5994563-A THIOPHENE DERIVATIVES, IMMUNOSUPPRESSANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-11-30 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 (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-20010020104-A1 Process for preparing substituted benzyl compounds and toluene derivatives NISCH, TBCB, NBAS ERN1 3489/4885RAB9A 1085/4885POLB 654/4885

“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.