Toluene

Toluene

SCHEMBL2239924

CC[Si](CC)(CC)O[C@@H](CN(CCO)Cc1ccccc1)c1ccc(Cl)c(N(C(=O)OC(C)(C)C)S(C)(=O)=O)c1.Cc1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
ACHE P22303 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
STAT5B P51692 1/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2240042 0.97 KCNH2 (0.33) KCNH2ACHEMEN1KMT2ATRPM8
SCHEMBL178080 0.97 KCNH2 (0.33) KCNH2ACHEMEN1KMT2ATRPM8
SCHEMBL178182 0.88 KCNH2 (0.36) KCNH2ACHEMEN1KMT2ATRPM8
SCHEMBL2240036 0.88 HTT (0.36) ACHEMEN1KMT2APOLBTSHR
SCHEMBL2240031 0.88 HTT (0.36) ACHEMEN1KMT2APOLBTSHR
SCHEMBL178153 0.79 HTT (0.40) ACHEMEN1KMT2APOLBTSHR
SCHEMBL12348125 0.79 ATM (0.33) KCNH2
SCHEMBL12348147 0.79 ATM (0.33) KCNH2MEN1KMT2AALDH1A1
SCHEMBL177159 0.77 KCNH2 (0.43) KCNH2
SCHEMBL13302600 0.77 ATM (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 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 (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-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 KCNH2 1250/4885ACHE 68/4885MEN1 3531/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A KCNH2 1669/4885ACHE 14/4885MEN1 2751/4885

“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.