SCHEMBL459968

SCHEMBL459968

Nc1cc(N2CCNCC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.76
ALDH1A1 P00352 8/20 0.76
KMT2A Q03164 3/20 0.74
LMNA P02545 3/20 0.74
MEN1 O00255 2/20 0.74
RECQL P46063 1/20 0.62
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.47
HTR6 P50406 1/20 0.43
POLB P06746 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
WDR5 P61964 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
SCHEMBL1192289 0.87 ALDH1A1 (1.00) MAPTALDH1A1KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL29257930 0.85 MAPT (0.55) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL1193137 0.85 MAPT (1.00) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL8069112 0.83 MAPT (0.71) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL1192644 0.83 MAPT (1.00) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL9581594 0.82 MAPT (0.61) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL458482 0.81 MAPT (0.56) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL22858600 0.80 HTR3E (0.50) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL29578121 0.80 HTR3E (0.50) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL458336 0.80 MAPT (0.71) MAPTALDH1A1KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 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 (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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 MAPT 4757/4885ALDH1A1 728/4885KMT2A 2465/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR MAPT 400/4885ALDH1A1 1851/4885KMT2A 2563/4885

“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.