SCHEMBL2141102

SCHEMBL2141102

NNc1nc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
RAB9A P51151 9/20 0.57
NPC1 O15118 7/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MCL1 Q07820 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
FBP1 P09467 1/20 0.49
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL10509369 0.88 NPC1 (0.56) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL3748833 0.85 POLB (0.60) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL3064262 0.82 MEN1 (0.57) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL31430551 0.80 POLB (0.53) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL10173106 0.80 RAB9A (0.65) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL31490986 0.80 RAB9A (0.65) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL12459201 0.79 RAB9A (0.57) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL13543033 0.78 SSTR5 (0.52) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL2420144 0.78 RAB9A (0.61) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL11443651 0.78 MEN1 (0.62) POLBRAB9ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
CN-1303043-C Process for producing biaryl compound SUMITOMO CHEMICAL CO (JP) 2007-03-07 CN disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed
US-4837308-A Process for the preparation of azo compounds BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0201892-B1 METHOD OF MAKING AZO COMPOUNDS BAYER AG (DE) 1989-03-08 EP disclosed
EP-0201892-A1 Method of making azo compounds BAYER AG (DE) 1986-11-20 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR POLB 909/4885RAB9A 2254/4885NPC1 4102/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR POLB 909/4885RAB9A 2254/4885NPC1 4102/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR POLB 909/4885RAB9A 2254/4885NPC1 4102/4885

“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.