SCHEMBL13508332

SCHEMBL13508332

Cc1ccc(C(=O)NCCCC(C)(C)C)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
USP2 O75604 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 2/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.55
NAMPT P43490 2/20 0.54
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ESR1 P03372 1/20 0.49
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46

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
SCHEMBL12124465 0.83 RAB9A (0.67) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL12124269 0.81 NPC1 (0.65) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL13577959 0.81 RAB9A (0.65) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL10708932 0.79 KMT2A (0.70) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL12124267 0.79 POLB (0.65) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL12124440 0.79 KMT2A (0.65) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL12124263 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL16313561 0.78 POLB (0.63) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
Hydrochloric Acid SCHEMBL10706528 0.76 KMT2A (0.61) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL279950 0.76 KMT2A (0.71) NPC1RAB9ASMN1; SMN2USP2L3MBTL1

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.