SCHEMBL16562013

SCHEMBL16562013

COc1ccc(CCNC(=O)NC(=O)c2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ FPR2 P25090 4/20 0.64
▸ CNR1 P21554 1/20 0.64
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.58
▸ NAMPT P43490 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ ABCG2 Q9UNQ0 1/20 0.56

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
SCHEMBL16562199 0.94 FPR2 (0.73) MAPTMEN1KMT2AFPR2CNR1
SCHEMBL16562224 0.92 ALDH1A1 (0.66) MAPTMEN1KMT2AFPR2CNR1
SCHEMBL16562234 0.89 NPC1 (0.67) MAPTMEN1KMT2AFPR2NPC1
SCHEMBL16562078 0.88 PLK1 (0.62) MAPTMEN1KMT2AFPR2CNR1
SCHEMBL16562132 0.88 ALDH1A1 (0.62) MAPTMEN1KMT2AFPR2CNR1
SCHEMBL16562274 0.88 ALDH1A1 (0.62) MAPTMEN1KMT2AFPR2CNR1
SCHEMBL16562197 0.87 MAPT (0.62) MAPTMEN1KMT2AFPR2CNR1
SCHEMBL16562211 0.87 ALDH1A1 (0.64) MAPTMEN1KMT2AFPR2CNR1
SCHEMBL16562206 0.87 ALDH1A1 (0.60) MAPTMEN1KMT2AFPR2CNR1
SCHEMBL16562288 0.87 FPR2 (0.66) MAPTKMT2AFPR2CNR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — US disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 — — WO 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 (1 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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 MAPT 2945/4885MEN1 4719/4885KMT2A 1976/4885

“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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