SCHEMBL16562128

SCHEMBL16562128

COc1ccc(CCNC(=O)NC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.69
▸ CNR1 P21554 2/20 0.69
▸ ALDH1A1 P00352 4/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ GAA P10253 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HTT P42858 1/20 0.57
▸ FABP2 P12104 1/20 0.57
▸ PPARG P37231 1/20 0.57
▸ PPARD Q03181 1/20 0.57
▸ PPARA Q07869 1/20 0.57
▸ MAPT P10636 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ GFER P55789 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
SCHEMBL16562224 0.93 ALDH1A1 (0.66) FPR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL16562274 0.90 ALDH1A1 (0.62) FPR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL16562132 0.90 ALDH1A1 (0.62) FPR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL16562078 0.90 PLK1 (0.62) FPR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL16562294 0.89 KMT2A (0.70) FPR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL16562197 0.88 MAPT (0.62) FPR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL16562206 0.88 ALDH1A1 (0.60) FPR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL16562211 0.88 ALDH1A1 (0.64) FPR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL16562070 0.87 FPR2 (0.69) FPR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL16562279 0.87 ALDH1A1 (0.69) FPR2ALDH1A1MEN1KMT2AGAA

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 5 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-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
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 FPR2 2631/4885CNR1 1450/4885ALDH1A1 88/4885

“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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