SCHEMBL16562233

SCHEMBL16562233

COc1ccc(CCNC(=O)NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.56
▸ ALOX5 P09917 1/20 0.56
▸ DRD2 P14416 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ RAB9A P51151 4/20 0.52
▸ MAPT P10636 3/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL16562158 0.90 DRD2 (0.57) SMN1; SMN2POLBALDH1A1DRD2KDM4E
SCHEMBL16562152 0.89 KDM4E (0.64) HPGDSMN1; SMN2POLBALDH1A1DRD2
SCHEMBL16562224 0.86 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1KDM4ERAB9AMAPT
SCHEMBL16562078 0.82 PLK1 (0.62) SMN1; SMN2ALDH1A1KDM4ERAB9AMAPT
SCHEMBL16562274 0.82 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1KDM4ERAB9AMAPT
SCHEMBL16562132 0.82 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1KDM4ERAB9AMAPT
SCHEMBL16562197 0.81 MAPT (0.62) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL16562206 0.81 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL16562211 0.81 ALDH1A1 (0.64) SMN1; SMN2POLBALDH1A1RAB9AMAPT
SCHEMBL16562070 0.80 FPR2 (0.69) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1

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 HPGD 756/4885SMN1; SMN2 3069/4885ALOX15 304/4885

“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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