SCHEMBL13559752

SCHEMBL13559752

Cc1ccc(Cn2c(CN3CCC[C@H]3CO)nc3cccnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
TP53 P04637 5/20 0.48
SPHK1 Q9NYA1 3/20 0.48
ENPP2 Q13822 1/20 0.48
THRB P10828 2/20 0.48
LMNA P02545 4/20 0.47
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL13559754 0.87 TP53 (0.48) KCNH2TP53ENPP2THRBLMNA
SCHEMBL13559750 0.82 KCNH2 (0.51) KCNH2SPHK1
SCHEMBL13559746 0.81 KCNH2 (0.69) KCNH2SPHK1
SCHEMBL6880434 0.80 DRD4 (0.47) KCNH2
SCHEMBL13559753 0.80 KCNH2 (0.55) KCNH2TP53ENPP2THRBLMNA
SCHEMBL13479276 0.76 SPHK1 (0.64) SPHK1
SCHEMBL13479278 0.76 SPHK1 (0.64) SPHK1
SCHEMBL13508794 0.76 KCNH2 (0.69) KCNH2SPHK1LMNAMAPTTDP1
SCHEMBL13186674 0.76 KCNH2 (0.78) KCNH2SPHK1LMNAMAPTTDP1
SCHEMBL13187011 0.76 KCNH2 (0.69) KCNH2SPHK1LMNAMAPTTDP1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 4544/4885TP53 4482/4885SPHK1 3281/4885

“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.