SCHEMBL16562124

SCHEMBL16562124

O=C(c1ccccc1)c1ccc(NC(=O)c2nc3ccccc3s2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.79
RAB9A P51151 6/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
PKM P14618 2/20 0.79
NFKB1 P19838 2/20 0.79
NFKB2 Q00653 2/20 0.79
RELA Q04206 2/20 0.79
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 2/20 0.67
ALDH1A1 P00352 2/20 0.67
MMP2 P08253 1/20 0.64
MMP9 P14780 1/20 0.64
MMP8 P22894 1/20 0.64
MMP13 P45452 1/20 0.64
SCD O00767 2/20 0.64
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
KDM4E B2RXH2 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
SCHEMBL6877470 0.89 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL28308136 0.85 NPC1 (0.81) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL7452479 0.82 NPC1 (0.81) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL24751 0.81 HSD17B1 (0.62) NPC1RAB9ASMN1; SMN2PKMNFKB1
Bromide SCHEMBL28862925 0.79 HSD17B1 (0.61) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL1987139 0.78 MMP2 (1.00) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL17916702 0.78 SCD (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16562181 0.78 SCD (0.73) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL14340278 0.76 NPC1 (0.67) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL14516684 0.76 NPC1 (0.70) NPC1RAB9ASMN1; SMN2PKMNFKB1

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 NPC1 840/4885RAB9A 4781/4885SMN1; SMN2 3069/4885

“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.