SCHEMBL5182007

SCHEMBL5182007

CC1CCC(C(C)C)C(N(c2ccc(N)cc2)C2CC(C)CCC2C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.39
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
KCNA5 P22460 1/20 0.38
LMNA P02545 1/20 0.37
EPHX1 P07099 1/20 0.37
TRPV1 Q8NER1 4/20 0.35
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL2481928 0.86 TRPM8 (0.40) TRPM8TRPA1ALDH1A1HPGDKCNA5
SCHEMBL6235069 0.85 TRPM8 (0.39) TRPM8TRPA1ALDH1A1HPGDKCNA5
SCHEMBL10949151 0.84 KCNA5 (0.49) TRPM8TRPA1ALDH1A1HPGDKCNA5
SCHEMBL1903958 0.82 KCNA5 (0.39) TRPM8TRPA1ALDH1A1HPGDKCNA5
SCHEMBL589762 0.82 CYP19A1 (0.45) TRPM8TRPA1ALDH1A1KCNA5LMNA
SCHEMBL8470258 0.81 KCNA5 (0.38) TRPM8TRPA1ALDH1A1HPGDKCNA5
SCHEMBL31752406 0.80 TRPM8 (0.46) TRPM8TRPA1ALDH1A1HPGDKCNA5
SCHEMBL10363050 0.79 KCNA5 (0.42) TRPM8TRPA1ALDH1A1HPGDKCNA5
SCHEMBL10363049 0.79 KCNA5 (0.42) TRPM8TRPA1ALDH1A1HPGDKCNA5
SCHEMBL1757998 0.77 KCNA5 (0.33) TRPM8TRPA1ALDH1A1KCNA5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534346-A4 TOLUIDINE BLUE O DRUG SUBSTANCE AND USE THEREOF FOR IN VIVO STAINING AND CHEMOTHERAPEUTIC TREATMENT OF DYSPLASTIC TISSUES ZILA INC (US) 2007-07-25 EP disclosed
US-20060110326-A1 Toluidine blue o drug substance and use thereof for in vitro staining and chemotherapeutic treatment of dysplastic tissues ZILA, INC. (US) 2006-05-25 US disclosed
EP-1534346-A2 TOLUIDINE BLUE O DRUG SUBSTANCE AND USE THEREOF FOR IN VIVO STAINING AND CHEMOTHERAPEUTIC TREATMENT OF DYSPLASTIC TISSUES Zila Inc. (US) 2005-06-01 EP disclosed
WO-2003103569-A3 TOLUIDINE BLUE O DRUG SUBSTANCE AND USE THEREOF FOR IN VIVO STAINING AND CHEMOTHERAPEUTIC TREATMENT OF DYSPLASTIC TISSUES OKOLOTOWICZ KARL (US) 2004-05-21 WO disclosed
WO-2003103569-A2 TOLUIDINE BLUE O DRUG SUBSTANCE AND USE THEREOF FOR IN VIVO STAINING AND CHEMOTHERAPEUTIC TREATMENT OF DYSPLASTIC TISSUES ZILA INC. (US) 2003-12-18 WO disclosed
US-5019453-A Composite material and method of making same LOCKHEED MARTIN CORPORATION 1991-05-28 US disclosed
US-4992335-A Composite material and method of making same SANDERS ASSOCIATES, INC. (US) 1991-02-12 US disclosed
US-4935308-A Composite material and method of making same SANDERS ASSOCIATES (US) 1990-06-19 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 (1 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-20060110326-A1 Toluidine blue o drug substance and use thereof for in vitro staining and chemotherapeutic treatment of dysplastic tissues TPMT, DNER, INMT TRPM8 666/4885TRPA1 1159/4885ALDH1A1 551/4885

“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.