SCHEMBL458482

SCHEMBL458482

N#Cc1cc([N+](=O)[O-])c(N)cc1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 10/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL22031656 0.84 MAPT (0.56) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL459968 0.81 MAPT (0.76) MAPTRECQLALDH1A1MEN1KMT2A
SCHEMBL8069112 0.81 MAPT (0.71) MAPTRECQLALDH1A1MEN1KMT2A
SCHEMBL3656638 0.78 ALDH1A1 (0.76) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL470231 0.77 ALDH1A1 (0.47) ALDH1A1
SCHEMBL459207 0.77 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL19606264 0.76 MAPT (0.50) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL456801 0.75 MAPT (0.55) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL30164114 0.74 ALDH1A1 (0.47) MAPTRECQLALDH1A1LMNASMN1; SMN2
SCHEMBL1114152 0.74 MAPT (0.60) MAPTRECQLALDH1A1HTTGAA

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 6 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-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
CN-103201268-A Novel piperazine analogs as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-10 CN 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
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 MAPT 4757/4885RECQL 1356/4885ALDH1A1 728/4885

“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.