SCHEMBL15946336

SCHEMBL15946336

Cc1ccc2c(NNC(=O)c3cnccn3)c3c(nc2c1)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.50
BCHE P06276 5/20 0.47
GRIN1 Q05586 3/20 0.45
GRIN2A Q12879 3/20 0.45
APP P05067 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CCR6 P51684 1/20 0.41
CFTR P13569 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL14768751 0.86 TP53 (0.47) ACHEBCHENPC1RAB9ASMN1; SMN2
SCHEMBL10062380 0.74 KDM5A (0.70) ACHEBCHEGAAHTTTDP1
SCHEMBL28768806 0.65 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2GAAHTT
SCHEMBL12043409 0.64 ACHE (1.00) ACHEBCHEGRIN1GRIN2AAPP
SCHEMBL9926442 0.64 BCHE (1.00) ACHEBCHEAPPNPC1
SCHEMBL3798774 0.64 HTT (0.55) ACHEBCHEGAAHTT
SCHEMBL16729242 0.63 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL9749208 0.61 HTT (0.64) ACHEBCHENPC1RAB9AGAA
SCHEMBL1147798 0.61 NPC1 (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL29352418 0.60 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2HTT

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-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 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-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof DHX15, DDX5, DHX35 ACHE 688/4885BCHE 666/4885GRIN1 4740/4885

“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.