SCHEMBL2969209

SCHEMBL2969209

Cc1ccc(C(=O)Nc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
KCNMA1 Q12791 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 3/20 0.55
HTT P42858 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
ABCB1 P08183 1/20 0.54
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
AVPR2 P30518 1/20 0.53
GPR27 Q9NS67 1/20 0.53
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52

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
SCHEMBL13163086 0.84 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2HTTALDH1A1RAB9A
SCHEMBL9191303 0.84 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL3340347 0.84 KMT2A (0.69) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL5222691 0.82 ALDH1A1 (0.70) MEN1KMT2ASMN1; SMN2GAAHTT
Methyl Alcohol SCHEMBL4957272 0.82 GAA (0.73) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL995085 0.82 GAA (0.77) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL31349163 0.81 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL10941351 0.79 ALDH1A1 (0.68) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL4147334 0.79 GPR27 (0.72) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL7010635 0.78 KCNMA1 (0.57) MEN1KMT2AKCNMA1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885KCNMA1 4842/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885KCNMA1 4842/4885

“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.