SCHEMBL13508672

SCHEMBL13508672

COc1ccc2c(c1)ncn2Cc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 3/20 0.58
CYP11B1 P15538 2/20 0.58
CYP11B2 P19099 2/20 0.58
MAPK1 P28482 1/20 0.58
QPCT Q16769 3/20 0.57
QPCTL Q9NXS2 2/20 0.57
BRD4 O60885 3/20 0.55
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
CSF1R P07333 1/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL6047768 0.87 CYP11B1 (0.60) SMN1; SMN2HTTCYP11B1CYP11B2QPCT
SCHEMBL27441644 0.85 QPCT (0.54) KCNH2SMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL22533807 0.84 QPCT (0.53) KCNH2SMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL13187230 0.84 CYP11B1 (0.71) KCNH2SMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL13559811 0.83 SMN1; SMN2 (0.55) KCNH2SMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL23123295 0.82 QPCT (0.58) KCNH2SMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL166982 0.82 QPCT (0.65) KCNH2SMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL12770777 0.82 KCNH2 (0.68) KCNH2SMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL30789254 0.82 CYP11B1 (0.60) KCNH2SMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL13187037 0.81 KCNH2 (0.71) KCNH2SMN1; SMN2HTTCYP11B1CYP11B2

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-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
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 KCNH2 4544/4885SMN1; SMN2 3111/4885HTT 4807/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 KCNH2 4580/4885SMN1; SMN2 2247/4885HTT 4147/4885

“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.