SCHEMBL16677166

SCHEMBL16677166

COc1ccc(C(=O)NCCOCCOCCN)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 2/20 0.60
CA2 P00918 4/20 0.55
CA1 P00915 2/20 0.55
ALDH1A1 P00352 4/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
PKM P14618 1/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.49
PLK1 P53350 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 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
SCHEMBL16677165 0.90 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HPGDCA2
SCHEMBL15021186 0.88 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDCA2
SCHEMBL15304618 0.87 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2HPGDCA2
SCHEMBL11936818 0.85 KMT2A (0.66) NPC1RAB9ASMN1; SMN2CA2ALDH1A1
SCHEMBL12279683 0.85 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDCA2
SCHEMBL7207554 0.85 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HPGDCA2
SCHEMBL23569027 0.84 KMT2A (0.68) NPC1RAB9ASMN1; SMN2CA2ALDH1A1
SCHEMBL14386036 0.84 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2HPGDCA2
Hydrochloric Acid SCHEMBL9584772 0.83 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDCA2
SCHEMBL14271589 0.83 NPC1 (0.75) NPC1RAB9ASMN1; SMN2HPGDCA2

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-20160271072-A1 POLYMER NANOPARTICLES CONTAINING MULTIPLE AGENTS AND METHODS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-09-22 US disclosed
US-20160271072-A1 POLYMER NANOPARTICLES CONTAINING MULTIPLE AGENTS AND METHODS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-09-22 US disclosed
WO-2015061468-A1 POLYMER NANOPARTICLES CONTAINING MULTIPLE AGENTS AND METHODS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-04-30 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-20160271072-A1 POLYMER NANOPARTICLES CONTAINING MULTIPLE AGENTS AND METHODS THEREOF LIPA, NPC1, PHOSPHO1 NPC1 2/4885RAB9A 343/4885SMN1; SMN2 1394/4885

“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.