SCHEMBL1683785

SCHEMBL1683785

COc1cc(C(=NO)C2COC(c3ccccc3)N2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ TUBB4A P04350 4/20 0.38
▸ TUBB P07437 4/20 0.38
▸ TUBA3C P0DPH7 4/20 0.38
▸ TUBA1B P68363 4/20 0.38
▸ TUBA4A P68366 4/20 0.38
▸ TUBB4B P68371 4/20 0.38
▸ TUBB3 Q13509 4/20 0.38
▸ TUBB2A Q13885 4/20 0.38
▸ TUBB8 Q3ZCM7 4/20 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
SCHEMBL1683779 1.00 ACHE (0.39) ACHEPTPN1ALDH1A1KDM4EMEN1
SCHEMBL1683931 1.00 ACHE (0.39) ACHEPTPN1ALDH1A1KDM4EMEN1
SCHEMBL1683848 0.92 ACHE (0.39) ACHEPTPN1ALDH1A1KDM4EMEN1
SCHEMBL4416053 0.92 ACHE (0.39) ACHEPTPN1ALDH1A1KDM4EMEN1
SCHEMBL1683845 0.92 ACHE (0.39) ACHEPTPN1ALDH1A1KDM4EMEN1
SCHEMBL1683808 0.88 ACHE (0.37) ACHEPTPN1ALDH1A1KDM4EMEN1
SCHEMBL1683813 0.84 ALDH1A1 (0.44) ACHEPTPN1ALDH1A1KDM4EMEN1
SCHEMBL1683770 0.84 ACHE (0.41) ACHEPTPN1ALDH1A1KDM4EMEN1
SCHEMBL1683972 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1CYP2D6CYP2C19
SCHEMBL1683939 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 — — US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 — — US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 — — US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 — — US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 — — EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 — — EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 — — US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 — — US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 — — US disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 — — EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 — — WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 — — 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY ACHE 2533/4885PTPN1 2980/4885ALDH1A1 606/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885ALDH1A1 619/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885ALDH1A1 619/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885ALDH1A1 619/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885ALDH1A1 619/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ACHE 3649/4885PTPN1 1971/4885ALDH1A1 619/4885

“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.

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