SCHEMBL16562114

SCHEMBL16562114

COc1ccc(CCNC(=O)C(=O)NC2CCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ POLB P06746 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ EPHX2 P34913 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.57
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ EPHX1 P07099 1/20 0.55
▸ PLAAT3 P53816 1/20 0.54
▸ PLAAT5 Q96KN8 1/20 0.54
▸ PLAAT2 Q9NWW9 1/20 0.54
▸ PLAAT4 Q9UL19 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.54

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
SCHEMBL16562061 0.99 NPC1 (0.70) NPC1RAB9APOLBCYP1A2CYP3A4
SCHEMBL16562268 0.99 NPC1 (0.70) NPC1RAB9APOLBCYP1A2CYP3A4
SCHEMBL16562144 0.97 NPC1 (0.64) NPC1RAB9APOLBCYP1A2CYP3A4
SCHEMBL17919371 0.95 SMN1; SMN2 (0.60) NPC1RAB9APOLBCYP1A2CYP3A4
SCHEMBL17919369 0.84 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL16562287 0.81 RAB9A (0.60) NPC1RAB9APOLBCYP1A2CYP3A4
SCHEMBL16562217 0.79 SMN1; SMN2 (0.69) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2796287 0.78 POLB (0.71) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL16562201 0.78 ALDH1A1 (0.58) NPC1RAB9APOLBCYP1A2CYP3A4
SCHEMBL10516281 0.77 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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 NPC1 840/4885RAB9A 4781/4885POLB 3231/4885

“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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