SCHEMBL6812295

SCHEMBL6812295

O=C(O)NC1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.47
ENPP2 Q13822 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3635114 0.84 MAPT (0.65) SIGMAR1MEN1KMT2AMAPTLMNA
SCHEMBL2559529 0.83 TDP1 (0.62) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL3256239 0.83 DRD2 (0.52) SIGMAR1MEN1KMT2AMAPTKDM4E
SCHEMBL24073901 0.81 MAPT (0.57) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL16934915 0.79 MAPT (0.59) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL17748966 0.79 EPHX2 (0.61) SIGMAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL901921 0.79 NPY5R (0.57) SIGMAR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17689749 0.79 HTR1A (0.52) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL31398210 0.79 MAPT (0.49) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL23270984 0.78 MEN1 (0.75) MEN1KMT2AMAPTPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US 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-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL SIGMAR1 1237/4885MEN1 4814/4885KMT2A 2073/4885

“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.