SCHEMBL1683643

SCHEMBL1683643

COc1ccc(C(=O)c2csc(C3=CCCC=C3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.39
TLR7 Q9NYK1 1/20 0.39
CA2 P00918 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL1683754 0.88 FGFR2 (0.38) ALDH1A1HDAC3HDAC1HDAC7HDAC8
SCHEMBL1683709 0.87 CNR2 (0.48) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4423934 0.85 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDTLR7
SCHEMBL1683954 0.82 EGFR (0.53) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL4427216 0.80 CNR2 (0.47) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4428560 0.78 NPSR1 (0.38) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4421714 0.77 HDAC1 (0.44) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL9954603 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EHDAC1HDAC8HDAC6
SCHEMBL1683605 0.75 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL1683987 0.75 TLR7 (0.44) KDM4ETLR7KMT2A

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 13 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
EP-2303021-B1 COMPOUNDS FOR THE TREATMENT OF CANCER UNIV TENNESSEE RES FOUND (US) 2018-12-19 EP 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 ALDH1A1 606/4885KDM4E 1473/4885RAB9A 1842/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885KDM4E 260/4885RAB9A 2933/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885KDM4E 260/4885RAB9A 2933/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885KDM4E 260/4885RAB9A 2933/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885KDM4E 260/4885RAB9A 2933/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885KDM4E 260/4885RAB9A 2933/4885

“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.