SCHEMBL16562116

SCHEMBL16562116

COc1ccc(CCNC(=O)C(=O)NN2CCN(C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.56
▸ CHRM3 P20309 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CHRM1 P11229 1/20 0.53
▸ PLAAT3 P53816 2/20 0.52
▸ PLAAT5 Q96KN8 2/20 0.52
▸ PLAAT2 Q9NWW9 2/20 0.52
▸ PLAAT4 Q9UL19 2/20 0.52
▸ MAPT P10636 3/20 0.51
▸ GLA P06280 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL16562113 0.89 SMN1; SMN2 (0.56) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL16562149 0.84 MAPT (0.58) CHRM5CHRM3SMN1; SMN2CHRM1PLAAT3
SCHEMBL17919369 0.82 SMN1; SMN2 (0.77) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL14372213 0.81 CHRM5 (0.62) CHRM5CHRM3SMN1; SMN2CHRM1MAPT
SCHEMBL16562217 0.77 SMN1; SMN2 (0.69) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL16562220 0.75 ALDH1A1 (0.70) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL10516281 0.75 SMN1; SMN2 (0.71) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL16562105 0.74 ALDH1A1 (0.72) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4981608 0.74 SMN1; SMN2 (0.57) CHRM5CHRM3SMN1; SMN2CHRM1KMT2A
SCHEMBL16562142 0.74 SMN1; SMN2 (0.69) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4

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 CHRM5 4674/4885CHRM3 4009/4885SMN1; SMN2 3069/4885

“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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