SCHEMBL3273079

SCHEMBL3273079

Cc1ccccc1-c1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
HSD17B10 Q99714 1/20 0.49
HPRT1 P00492 1/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
ABCB1 P08183 3/20 0.42
ABCC1 P33527 2/20 0.42
KCNMA1 Q12791 1/20 0.42
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL3270267 0.90 S1PR1 (0.56) S1PR1ALDH1A1TDP1CRHBPCRHR2
SCHEMBL2816974 0.88 CRHBP (0.61) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL13309518 0.88 ALDH1A1 (0.59) S1PR1ALDH1A1TDP1CRHBPCRHR2
SCHEMBL3276362 0.83 TDP1 (0.66) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL30352851 0.83 TDP1 (0.66) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL15203036 0.82 CRHBP (0.58) ALDH1A1TDP1CRHBPCRHR2HSD17B10
SCHEMBL1514401 0.82 CRHBP (0.58) ALDH1A1TDP1CRHBPCRHR2HSD17B10
SCHEMBL15791110 0.81 TDP1 (0.53) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL2360248 0.79 HSD17B10 (0.69) ALDH1A1TDP1HSD17B10TSHRSMN1; SMN2
SCHEMBL30564320 0.79 HSD17B10 (0.69) ALDH1A1TDP1HSD17B10TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343637-B2 Carbazole derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-01-01 US disclosed
EP-2102309-B1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-06-30 EP disclosed
US-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-12-10 US disclosed
EP-2102309-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-09-23 EP disclosed
WO-2008086851-A1 CARBAZOLE DERIVATIVES FOR ORGANC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-07-24 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 (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-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, CACNA2D1, CYCS S1PR1 3546/4885ALDH1A1 208/4885TDP1 1018/4885

“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.