SCHEMBL3478245

SCHEMBL3478245

S=C(c1ccccc1)C1COC(c2ccccc2)N1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL1684009 0.81 EPHX1 (0.45) TSHRL3MBTL1PARP1EPHX1MEN1
SCHEMBL1683770 0.80 ACHE (0.41) TSHRL3MBTL1MEN1CYP2C19KMT2A
SCHEMBL21597984 0.78 TSHR (0.41) TSHRL3MBTL1MEN1CYP2C19KMT2A
SCHEMBL18058633 0.73 TSHR (0.36) TSHRL3MBTL1PARP1EPHX1MEN1
SCHEMBL1683898 0.69 NPC1 (0.45) TSHRL3MBTL1PARP1MEN1KMT2A
SCHEMBL1683663 0.69 CES2 (0.39) TSHRL3MBTL1MEN1CYP2C19KMT2A
SCHEMBL9037736 0.68 TSHR (0.45) TSHRMEN1CYP2C19KMT2A
SCHEMBL12881466 0.68 TSHR (0.45) TSHRMEN1CYP2C19KMT2A
SCHEMBL12881421 0.68 TSHR (0.45) TSHRMEN1CYP2C19KMT2A
SCHEMBL1683670 0.68 ALDH1A1 (0.49) L3MBTL1MEN1KMT2AALDH1A1

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 11 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
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 TSHR 2209/4885L3MBTL1 3424/4885PARP1 736/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 TSHR 4138/4885L3MBTL1 2834/4885PARP1 1721/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 TSHR 4138/4885L3MBTL1 2834/4885PARP1 1721/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TSHR 4138/4885L3MBTL1 2834/4885PARP1 1721/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TSHR 4138/4885L3MBTL1 2834/4885PARP1 1721/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TSHR 4138/4885L3MBTL1 2834/4885PARP1 1721/4885

“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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