SCHEMBL4924664

SCHEMBL4924664

CC(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
GALR3 O60755 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
GPR35 Q9HC97 1/20 0.34
CYP3A4 P08684 1/20 0.32
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
ATP2A2 P16615 1/20 0.31
ATP2A3 Q93084 1/20 0.31

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
SCHEMBL10813783 0.83 TSHR (0.54) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL4924130 0.83 ALDH1A1 (0.45) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL12406472 0.81 L3MBTL1 (0.40) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL4923849 0.81 ALDH1A1 (0.39) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL15097114 0.80 ALDH1A1 (0.42) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL2182723 0.79 ALDH1A1 (0.37) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL4915349 0.78 HTT (0.47) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL397236 0.78 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL28308139 0.77 TSHR (0.49) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL28127457 0.76 TSHR (0.41) SMN1; SMN2L3MBTL1MEN1GALR3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227869-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses thereof MEN TEWA 2008-09-18 US claimed
EP-1232748-B1 USE OF SUBSTITUTED NITROBENZENE DERIVATIVES FOR THE TREATMENT OF DISEASES CAUSED BY BACTERIA, FUNGI AND VIRUSES MEN TEWA (CN) 2006-05-03 EP claimed
US-20050228055-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses athereof MEN TEWA 2005-10-13 US claimed
EP-1232748-A1 SUBSTITUTED NITROBENZENE DERIVATIVES AS MEDICINES AND OTHER USEFUL USES THEREOF Men, Tewa (CN) 2002-08-21 EP claimed
US-20080227869-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses thereof MEN TEWA 2008-09-18 US disclosed
EP-1232748-B1 USE OF SUBSTITUTED NITROBENZENE DERIVATIVES FOR THE TREATMENT OF DISEASES CAUSED BY BACTERIA, FUNGI AND VIRUSES MEN TEWA (CN) 2006-05-03 EP disclosed
US-20050228055-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses athereof MEN TEWA 2005-10-13 US disclosed
EP-1232748-A1 SUBSTITUTED NITROBENZENE DERIVATIVES AS MEDICINES AND OTHER USEFUL USES THEREOF Men, Tewa (CN) 2002-08-21 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-20080227869-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses thereof NOS3, NOS1, PTGS1 SMN1; SMN2 939/4885L3MBTL1 3017/4885MEN1 2911/4885
US-20050228055-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses athereof APOB, NDUFB1, CYP2F1 SMN1; SMN2 2174/4885L3MBTL1 4545/4885MEN1 2236/4885

“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.