SCHEMBL7073273

SCHEMBL7073273

O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
CCR6 P51684 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1835526 0.87 HTT (0.50) KMT2ACA12CA1CA2CA9
SCHEMBL6679384 0.87 CA12 (0.51) KMT2ACA12CA1CA2CA9
SCHEMBL2161820 0.87 KMT2A (0.51) KMT2ACA12CA1CA2CA9
SCHEMBL10924990 0.87 HPGD (0.50) KMT2ACA12CA1CA2CA9
SCHEMBL101837 0.86 HDAC4 (0.52) KMT2ACA12CA1CA2CA9
SCHEMBL10920293 0.85 KMT2A (0.48) KMT2ACA12CA1CA2CA9
SCHEMBL2034683 0.84 RAB9A (0.52) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL6678243 0.84 RAB9A (0.58) KMT2AMEN1PKMHTTRAB9A
SCHEMBL30434619 0.80 KMT2A (0.60) KMT2ACA1CA2CA9MEN1
SCHEMBL149438 0.80 KMT2A (0.60) KMT2ACA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 KMT2A 3958/4885CA12 546/4885CA1 377/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 KMT2A 3040/4885CA12 1063/4885CA1 633/4885

“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.