SCHEMBL16562288

SCHEMBL16562288

COc1ccc(CCNC(=O)NC(=O)c2ccc(Nc3ccccc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.66
▸ ALDH1A1 P00352 2/20 0.64
▸ RAB9A P51151 4/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NAMPT P43490 1/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ GAA P10253 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.52
▸ PLAAT3 P53816 1/20 0.52
▸ PLAAT5 Q96KN8 1/20 0.52
▸ PLAAT2 Q9NWW9 1/20 0.52
▸ PLAAT4 Q9UL19 1/20 0.52
▸ PTPN1 P18031 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ALOX12 P18054 1/20 0.51

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 0.91 FPR2 (0.73) FPR2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL16562279 0.90 ALDH1A1 (0.69) FPR2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL16562224 0.89 ALDH1A1 (0.66) FPR2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL16562195 0.88 ALDH1A1 (0.67) FPR2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL16562134 0.88 ALDH1A1 (0.67) FPR2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL16562157 0.88 ALDH1A1 (0.67) FPR2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL16562013 0.87 MAPT (0.66) FPR2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL16562211 0.87 ALDH1A1 (0.64) FPR2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL16562202 0.86 ALDH1A1 (0.67) FPR2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL16562077 0.85 MT-CO2 (0.58) ALDH1A1RAB9ANPC1KMT2ANAMPT

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 2631/4885ALDH1A1 88/4885RAB9A 4781/4885

“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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