SCHEMBL13508771

SCHEMBL13508771

O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)c(Cl)c2)c[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 1.00
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 3/20 0.63
HTT P42858 1/20 0.63
BRD4 O60885 3/20 0.61
KDM4E B2RXH2 2/20 0.55
RHEB Q15382 2/20 0.50
DCTPP1 Q9H773 2/20 0.43
TYMS P04818 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90B1 P14625 1/20 0.40
TRAP1 Q12931 1/20 0.40

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
SCHEMBL13508758 0.92 KCNH2 (0.86) KCNH2KMT2AMEN1ALDH1A1HTT
SCHEMBL13508764 0.82 KMT2A (0.81) KCNH2KMT2AMEN1ALDH1A1HTT
SCHEMBL24258034 0.81 KCNH2 (0.69) KCNH2KMT2AMEN1ALDH1A1HTT
SCHEMBL7520505 0.79 KCNH2 (0.65) KCNH2KMT2AMEN1ALDH1A1HTT
SCHEMBL7514352 0.76 MGAM (0.68) KCNH2HTTBRD4RHEB
SCHEMBL7514347 0.76 MGAM (0.68) KCNH2HTTBRD4RHEB
SCHEMBL16489534 0.76 BRD4 (1.00) KCNH2BRD4
SCHEMBL24258041 0.72 KCNH2 (0.56) KCNH2ALDH1A1HTTBRD4
SCHEMBL7512243 0.72 BRD4 (0.60) KCNH2KMT2AMEN1BRD4RHEB
SCHEMBL24258033 0.71 KCNH2 (0.55) KCNH2KMT2AMEN1HTTMAPT

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 6 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-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-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 4544/4885KMT2A 2299/4885MEN1 4872/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 KCNH2 4580/4885KMT2A 2858/4885MEN1 4880/4885

“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.