SCHEMBL14769326

SCHEMBL14769326

CCCC/N=C/c1nccn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
TLR8 Q9NR97 2/20 0.37
MEN1 O00255 2/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
LPO P22079 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTP4A3 O75365 1/20 0.33
HTT P42858 1/20 0.32
TBXAS1 P24557 1/20 0.32
CNR2 P34972 1/20 0.32
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.88 LPO (0.39) ALDH1A1KMT2AMEN1LPOPTP4A3
SCHEMBL4256486 0.88 LPO (0.39) ALDH1A1KMT2AMEN1LPOPTP4A3
SCHEMBL14769324 0.80 HTT (0.36) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL14769323 0.79 LPO (0.32) KMT2AMEN1LPOPTP4A3HTT
SCHEMBL14769322 0.79 LPO (0.32) LPOPTP4A3
SCHEMBL1254916 0.74 LPO (0.43) ALDH1A1KMT2AMEN1KDM4ELPO
SCHEMBL19999314 0.72
SCHEMBL13351500 0.71 PTP4A3 (0.36) KMT2AMEN1LPOPTP4A3HTT
SCHEMBL5206030 0.71
SCHEMBL10469226 0.71

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 3 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-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 ALDH1A1 3008/4885KMT2A 2736/4885POLB 624/4885

“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.