SCHEMBL14769323

SCHEMBL14769323

COCC/N=C/c1nccn1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.32
PTP4A3 O75365 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
BRD4 O60885 1/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4259643 0.86 LPO (0.39) LPOPTP4A3CHRNB2CHRNA4HTT
SCHEMBL14769326 0.79 ALDH1A1 (0.39) LPOPTP4A3HTTMEN1KMT2A
SCHEMBL14769322 0.77 LPO (0.32) LPOPTP4A3
SCHEMBL1254916 0.77 LPO (0.43) LPOPTP4A3HTTMEN1KMT2A
SCHEMBL14769324 0.75 HTT (0.36) LPOPTP4A3HTTMEN1KMT2A
SCHEMBL213036 0.74 LPO (0.38) LPOPTP4A3MEN1KMT2A
SCHEMBL213035 0.74 LPO (0.38) LPOPTP4A3MEN1KMT2A
SCHEMBL17499113 0.74 SIGMAR1 (0.43)
SCHEMBL19999314 0.71
SCHEMBL17499115 0.70 KDM4E (0.40) BRD4MEN1KMT2AL3MBTL1

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-9545623-B2 Nickel-based catalytic composition and method of oligomerization of olefins using said composition IFP Energies Nouvelles (FR) 2017-01-17 US disclosed
US-20130066128-A1 NOVEL NICKEL-BASED CATALYTIC COMPOSITION AND METHOD OF OLIGOMERIZATION OF OLEFINS USING SAID COMPOSITION IFP Energies Nouvelles (FR) 2013-03-14 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-20130066128-A1 NOVEL NICKEL-BASED CATALYTIC COMPOSITION AND METHOD OF OLIGOMERIZATION OF OLEFINS USING SAID COMPOSITION POR, NIT2, NOD2 LPO 223/4885PTP4A3 4666/4885CHRNB2 1642/4885

“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.