SCHEMBL16562158

SCHEMBL16562158

COc1ccc(CCNC(=O)NC(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.57
▸ POLB P06746 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ CHRM5 P08912 2/20 0.52
▸ CHRM3 P20309 2/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ NAMPT P43490 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ SMN1; SMN2 Q16637 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
SCHEMBL16562233 0.90 HPGD (0.59) DRD2POLBALDH1A1KDM4ENAMPT
SCHEMBL16562152 0.88 KDM4E (0.64) DRD2POLBALDH1A1KDM4EMAPT
SCHEMBL16562224 0.85 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL16562078 0.81 PLK1 (0.62) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL16562132 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL16562274 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL16562197 0.81 MAPT (0.62) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL16562206 0.81 ALDH1A1 (0.60) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL16562211 0.81 ALDH1A1 (0.64) POLBALDH1A1MAPTRAB9ANPC1
SCHEMBL16562070 0.79 FPR2 (0.69) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2

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 DRD2 4867/4885POLB 3231/4885ALDH1A1 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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