SCHEMBL376899

SCHEMBL376899

Cc1cc2nc(C(Cc3ccc(Cl)cc3)N3CCCC3CO)[nH]c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.40
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
ITGA5 P08648 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
SPHK1 Q9NYA1 5/20 0.38
SPHK2 Q9NRA0 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL377140 0.85 GAA (0.44) SPHK1SPHK2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL377139 0.85 GAA (0.44) SPHK1SPHK2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13508721 0.71 KCNH2 (0.55) KCNH2SPHK1SOS1
SCHEMBL13559788 0.71 KCNH2 (0.55) KCNH2SPHK1SOS1
SCHEMBL13508717 0.71 KCNH2 (0.55) KCNH2SPHK1SOS1
SCHEMBL13508720 0.71 KCNH2 (0.55) KCNH2SPHK1SOS1
SCHEMBL6095523 0.70 KMT2A (0.46) HCRTR1HCRTR2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL6093822 0.70 KMT2A (0.46) HCRTR1HCRTR2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13186940 0.65 KCNH2 (0.73) KCNH2SPHK1SPHK2SOS1
SCHEMBL13508661 0.65 KCNH2 (0.73) KCNH2SPHK1SPHK2SOS1

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-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
EP-2408449-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION The Board Of Trustees Of The University Of the Leland Stanford Junior University (US) 2012-01-25 EP disclosed
WO-2010107739-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO 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 4544/4885CHRNA1 4361/4885CHRNG 4381/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 KCNH2 4580/4885CHRNA1 4813/4885CHRNG 4652/4885

“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.