SCHEMBL12374585

SCHEMBL12374585

COc1ccc(N=O)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 2/20 0.53
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
GAA P10253 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL7065017 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL11295518 0.83 ALDH1A1 (0.37) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL279706 0.81 HTR3E (0.59) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL28289688 0.79 HSD17B10 (0.56) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL8022333 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL10349412 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL23624927 0.78 F2 (0.49) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL13368487 0.78 HTR3E (0.41) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL12045524 0.76 KMT2A (0.51) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL12844550 0.76 PTGS1 (0.57) ALDH1A1CYP3A4MAPTGAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318790-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-11-27 US disclosed
US-8299107-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORPORATION (US) 2012-10-30 US disclosed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 US disclosed
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORPORATION 2011-05-05 US disclosed
US-20100280032-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-11-04 US disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 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 (5 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-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 2994/4885CYP3A4 3017/4885MEN1 3743/4885
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885CYP3A4 3311/4885MEN1 4367/4885
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 2241/4885CYP3A4 2928/4885MEN1 4796/4885
US-20100280032-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 ALDH1A1 774/4885CYP3A4 2104/4885MEN1 4212/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 ALDH1A1 1385/4885CYP3A4 4782/4885MEN1 4527/4885

“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.