Toluene

Toluene

SCHEMBL15923937

CCCCCCOCCCCCCCCN1C(=O)c2ccccc2C1=O.Cc1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CDC25A P30304 10/20 0.52
CES1 P23141 2/20 0.52
ALDH1A1 P00352 1/20 0.50
ALDH2 P05091 1/20 0.50
ALDH3A1 P30838 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL15923132 0.94 CES1 (0.57) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL15923211 0.94 CES1 (0.57) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL15923122 0.94 CES1 (0.57) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL21318441 0.94 CES1 (0.57) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL15923015 0.91 TDP1 (0.54) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL15923416 0.91 TDP1 (0.54) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL10725626 0.91 MAPT (0.58) MAPTRAB9ASMN1; SMN2CDC25ACES1
SCHEMBL28203937 0.88 HPGD (0.51) MAPTRAB9ASMN1; SMN2CDC25ACES1
SCHEMBL31197405 0.88 HPGD (0.51) MAPTRAB9ASMN1; SMN2CDC25ACES1
SCHEMBL23731163 0.85 CES1 (0.68) TDP1L3MBTL1CDC25ACES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163476-A1 IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2021-06-03 US disclosed
US-10934284-B2 Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity WELLSTAT THERAPEUTICS CORPORATION (US) 2021-03-02 US disclosed
EP-3632426-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY Wellstat Therapeutics Corporation (US) 2020-04-08 EP disclosed
EP-2950649-B1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY WELLSTAT THERAPEUTICS CORP (US) 2020-03-04 EP disclosed
US-20190194193-A1 AMINOQUINAZOLINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2019-06-27 US disclosed
US-20180298000-A1 AMINOQUINOLINE COMPOUNDS HAVING ANTICANCER ACTIVITY PHARMA CINQ, LLC 2018-10-18 US disclosed
US-20150361077-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2015-12-17 US disclosed
EP-2950649-A2 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY Wellstat Therapeutics Corporation (US) 2015-12-09 EP disclosed
WO-2014120995-A2 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY WELLSTAT THERAPEUTICS CORPORATION (US) 2014-08-07 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 (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-20210163476-A1 IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY NOD1, NLRP3, AADAC TDP1 3015/4885L3MBTL1 1523/4885MAPT 2848/4885
US-20180298000-A1 AMINOQUINOLINE COMPOUNDS HAVING ANTICANCER ACTIVITY MYC, AAAS, ASNS TDP1 2901/4885L3MBTL1 2202/4885MAPT 2107/4885
US-20190194193-A1 AMINOQUINAZOLINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY AAAS, AADAC, NFKBIA TDP1 2433/4885L3MBTL1 2833/4885MAPT 2661/4885
US-20150361077-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY AADAC, CASP1, AAAS TDP1 2102/4885L3MBTL1 1868/4885MAPT 1131/4885
US-10934284-B2 Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity AAAS, AADAC, NFKBIA TDP1 2433/4885L3MBTL1 2833/4885MAPT 2661/4885

“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.