SCHEMBL16562287

SCHEMBL16562287

COc1ccc(CCNC(=O)NC(=O)c2ccc(C(=O)NC3CCCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ POLB P06746 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ EPHX1 P07099 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ EPHX2 P34913 2/20 0.54
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ TGM6 O95932 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
SCHEMBL16562201 0.98 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL16562282 0.95 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL16562224 0.88 ALDH1A1 (0.66) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16562132 0.84 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16562078 0.84 PLK1 (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL16562274 0.84 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16562206 0.83 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL16562211 0.83 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL16562197 0.83 MAPT (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16562070 0.82 FPR2 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1

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 RAB9A 4781/4885NPC1 840/4885ALDH1A1 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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