SCHEMBL16562143

SCHEMBL16562143

COc1ccc(CCNC(=O)C(=O)N2CCc3ccccc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ TAAR1 Q96RJ0 1/20 0.57
▸ PDE4B Q07343 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ HPGD P15428 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ PLAAT3 P53816 2/20 0.53
▸ PLAAT5 Q96KN8 2/20 0.53
▸ PLAAT2 Q9NWW9 2/20 0.53
▸ PLAAT4 Q9UL19 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CHRM5 P08912 1/20 0.51
▸ CHRM3 P20309 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
SCHEMBL16562188 0.92 NAMPT (0.63) NAMPTNPC1RAB9ATAAR1SMN1; SMN2
SCHEMBL16562064 0.82 SMN1; SMN2 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16562149 0.81 MAPT (0.58) ALDH1A1SMN1; SMN2KMT2APLAAT3PLAAT5
SCHEMBL16562220 0.81 ALDH1A1 (0.70) ALDH1A1TAAR1SMN1; SMN2KMT2APLAAT3
SCHEMBL16562105 0.80 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KMT2APLAAT3PLAAT5
SCHEMBL16562272 0.78 FKBP1A (0.63) ALDH1A1L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL17919369 0.75 SMN1; SMN2 (0.77) ALDH1A1NPC1RAB9ATAAR1SMN1; SMN2
SCHEMBL3705202 0.73 NAMPT (1.00) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL30260147 0.73 HPGD (0.69) NAMPTALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL28052479 0.73 NPC1 (0.66) ALDH1A1L3MBTL1NPC1RAB9ATAAR1

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 NAMPT 504/4885ALDH1A1 88/4885L3MBTL1 2619/4885

“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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