SCHEMBL6902580

SCHEMBL6902580

COC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44

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
SCHEMBL3224897 0.87 KMT2A (0.55) KMT2ATDP1L3MBTL1KDM4EPOLB
SCHEMBL30954151 0.86 TDP1 (0.50) KMT2ASMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL31305226 0.86 TDP1 (0.50) KMT2ASMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL13520113 0.86 TDP1 (0.50) KMT2ASMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL7363915 0.86 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL1437423 0.84 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2TDP1KDM4EPOLB
SCHEMBL20920009 0.84 TDP1 (0.49) KMT2ASMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL1069184 0.84 TDP1 (0.53) KMT2ASMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL21986722 0.83 TDP1 (0.48) KMT2ASMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL1448375 0.83 LMNA (0.49) KMT2ASMN1; SMN2TDP1L3MBTL1KDM4E

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-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 US disclosed
EP-1368343-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP disclosed
WO-2002055518-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 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-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 KMT2A 1539/4885SMN1; SMN2 3573/4885TDP1 4129/4885

“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.