SCHEMBL7072284

SCHEMBL7072284

Cn1c(Cc2nc3cc(CN4C(=O)c5ccccc5C4=O)ccc3[nH]2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
HPGD P15428 4/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 2/20 0.42
PABPC1 P11940 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
F2 P00734 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC1 Q13547 2/20 0.40
PIK3CD O00329 1/20 0.38
ENPP2 Q13822 1/20 0.38
IDH1 O75874 1/20 0.38

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
SCHEMBL7072646 0.88 KMT2A (0.55) KMT2AHPGDMEN1MAPTHTT
SCHEMBL7072290 0.81 KMT2A (0.39) KMT2AHPGDMEN1MAPK1F2
SCHEMBL7075045 0.80 FLT3 (0.40) F2ALDH1A1HDAC6HDAC1
SCHEMBL7408634 0.77 F10 (0.55) HPGDMAPTHTTF2
SCHEMBL7068102 0.74 HDAC6 (0.47) MAPTHTTALDH1A1HDAC6
SCHEMBL7478557 0.74 NPSR1 (0.43) KMT2AHPGDMAPK1F2KDM4E
SCHEMBL7069978 0.72 RORC (0.43) KMT2AMEN1MAPTALDH1A1HDAC6
SCHEMBL7068290 0.71 HSD17B10 (0.60) KMT2AHPGDMEN1MAPTPABPC1
SCHEMBL23280146 0.71 NPSR1 (0.50) HPGDMAPTMAPK1KDM4EALDH1A1
SCHEMBL29613752 0.71 GAA (0.60) KMT2AHPGDMAPTKDM4EGAA

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 3958/4885HPGD 1524/4885MEN1 2587/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 KMT2A 3040/4885HPGD 591/4885MEN1 3772/4885

“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.