SCHEMBL10249376

SCHEMBL10249376

Cc1ccc(NCC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.61
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KCNMA1 Q12791 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCAR3 P49019 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
SCHEMBL15082923 0.88 MAPT (0.61) KAT2BTSHRCYP3A4MAPTTDP1
SCHEMBL18477376 0.83 MAPT (0.50) KAT2BMAPTTDP1L3MBTL1MAPK1
SCHEMBL8655505 0.82 KAT2B (0.56) KAT2BTSHRCYP3A4MAPTTDP1
SCHEMBL6250970 0.82 KAT2B (0.66) KAT2BTSHRCYP3A4MAPTTDP1
SCHEMBL4640284 0.81 KAT2B (0.64) KAT2BTSHRCYP3A4MAPTTDP1
SCHEMBL7072960 0.81 MEN1 (0.53) MAPTTDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL3440916 0.80 HCAR3 (0.57) MAPTL3MBTL1ALDH1A1HTTNPC1
SCHEMBL117698 0.80 KMT2A (0.66) CYP3A4MAPTMAPK1ALDH1A1CYP1A2
SCHEMBL18680085 0.80 KAT2B (0.56) KAT2BTSHRCYP3A4MAPTTDP1
SCHEMBL10249409 0.79 KAT2B (0.71) KAT2BTSHRCYP3A4MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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 (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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 KAT2B 1631/4885TSHR 396/4885CYP3A4 285/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 KAT2B 1631/4885TSHR 396/4885CYP3A4 285/4885

“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.