SCHEMBL13508326

SCHEMBL13508326

COc1ccc(C(=O)NCCCC(C)(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.74
RAB9A P51151 5/20 0.74
SMN1; SMN2 Q16637 3/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
PKM P14618 1/20 0.54
POLB P06746 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MDM2 Q00987 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL25753589 0.94 NPC1 (0.80) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11761105 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11759659 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11760286 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11754310 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11758269 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9489987 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11756315 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11755990 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL16685001 0.84 NPC1 (0.83) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US 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 (2 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-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 NPC1 847/4885RAB9A 3558/4885SMN1; SMN2 3111/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 NPC1 682/4885RAB9A 2617/4885SMN1; SMN2 2247/4885

“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.