SCHEMBL13508328

SCHEMBL13508328

CC(C)(C)CCCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
MAOB P27338 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MLYCD O95822 1/20 0.55

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
SCHEMBL12203826 0.83 NAAA (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9491749 0.83 HDAC3 (0.76) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL13374397 0.83 MLYCD (0.54) NFKB1MLYCDALDH1A1NPC1GAA
SCHEMBL6359381 0.81 HDAC3 (0.71) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL13508326 0.81 NPC1 (0.74) NFKB1MEN1KMT2AHDAC6SIGMAR1
SCHEMBL17865780 0.81 MLYCD (0.77) NFKB1MLYCDALDH1A1NPC1GAA
SCHEMBL13508333 0.81 NAAA (0.65) CYP1A2TSHRMEN1KMT2AHDAC3
SCHEMBL9584535 0.80 CYP1A2 (0.78) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL13509604 0.80 L3MBTL1 (0.71) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL13315419 0.79 SMN1; SMN2 (0.64) NFKB1MEN1KMT2AHDAC3HDAC1

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 CYP1A2 1285/4885TSHR 4438/4885NFKB1 4500/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 CYP1A2 3545/4885TSHR 4766/4885NFKB1 2113/4885

“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.