SCHEMBL4428560

SCHEMBL4428560

COc1ccc(C(=O)c2c[nH]c(C3=CCCC=C3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PTGIR P43119 1/20 0.36
BRD4 O60885 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL4424310 0.88 FGFR2 (0.38) SMN1; SMN2MAPTRAB9AMEN1LMNA
SCHEMBL1683771 0.86 CNR2 (0.46) SMN1; SMN2TP53RAB9AMEN1KMT2A
SCHEMBL1683712 0.85 GAA (0.46) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL4422771 0.81 TUBB1 (0.40)
SCHEMBL4420802 0.79 CNR2 (0.45) NPSR1RAB9ARXFP1CHEK2NPC1
SCHEMBL1683643 0.78 ALDH1A1 (0.41) NPSR1SMN1; SMN2HPGDMAPTRAB9A
SCHEMBL4421714 0.78 HDAC1 (0.44) NPSR1SMN1; SMN2TP53HPGDMAPT
SCHEMBL724190 0.76 ALDH1A1 (0.54) NPSR1SMN1; SMN2TP53HPGDMAPT
SCHEMBL723344 0.74 MAPT (0.47) NPSR1SMN1; SMN2TP53HPGDMAPT
SCHEMBL1683750 0.74 MAPK14 (0.33) TP53MAPTLMNAGAAALDH1A1

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 10 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
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 NPSR1 1003/4885SMN1; SMN2 2763/4885TP53 24/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 NPSR1 4462/4885SMN1; SMN2 1722/4885TP53 56/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 NPSR1 4462/4885SMN1; SMN2 1722/4885TP53 56/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 NPSR1 4462/4885SMN1; SMN2 1722/4885TP53 56/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 NPSR1 4462/4885SMN1; SMN2 1722/4885TP53 56/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 NPSR1 4462/4885SMN1; SMN2 1722/4885TP53 56/4885

“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.