SCHEMBL1683815

SCHEMBL1683815

COc1cc(C(=S)C2CNC(c3ccccc3)N2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ TUBB4A P04350 3/20 0.37
▸ TUBB P07437 3/20 0.37
▸ TUBA3C P0DPH7 3/20 0.37
▸ TUBA1B P68363 3/20 0.37
▸ TUBA4A P68366 3/20 0.37

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
SCHEMBL1683597 0.85 ALDH1A1 (0.45) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL1683972 0.83 ALDH1A1 (0.39) KDM4ETDP1ALDH1A1MAPTTSHR
SCHEMBL1683934 0.83 ALDH1A1 (0.39) KDM4ETDP1ALDH1A1MAPTTSHR
SCHEMBL1683939 0.83 ALDH1A1 (0.39) KDM4ETDP1ALDH1A1MAPTTSHR
SCHEMBL1683688 0.82 ALDH1A1 (0.39) KDM4ETDP1ALDH1A1MAPTTSHR
SCHEMBL1683691 0.82 ALDH1A1 (0.39) KDM4ETDP1ALDH1A1MAPTTSHR
SCHEMBL1683961 0.82 ALDH1A1 (0.39) KDM4ETDP1ALDH1A1MAPTTSHR
SCHEMBL1683650 0.79 ALDH1A1 (0.41) KDM4ETDP1ALDH1A1MAPTTSHR
SCHEMBL4415864 0.78 ATM (0.46) KDM4ETDP1ALDH1A1MAPTTSHR
SCHEMBL1683770 0.77 ACHE (0.41) KDM4ETDP1ALDH1A1MAPTTSHR

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 KDM4E 1473/4885TDP1 3112/4885ALDH1A1 606/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 KDM4E 260/4885TDP1 2273/4885ALDH1A1 619/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 KDM4E 260/4885TDP1 2273/4885ALDH1A1 619/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 KDM4E 260/4885TDP1 2273/4885ALDH1A1 619/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 KDM4E 260/4885TDP1 2273/4885ALDH1A1 619/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 KDM4E 260/4885TDP1 2273/4885ALDH1A1 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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