SCHEMBL14769327

SCHEMBL14769327

Cc1ccccc1/N=C/c1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 1/20 0.41
MPI P34949 1/20 0.41
CYP2C9 P11712 1/20 0.40
BRD4 O60885 4/20 0.37
LMNA P02545 5/20 0.36
HTT P42858 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL17499356 0.81 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL17499358 0.81 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL17499131 0.79 KDM4E (0.33) ALDH1A1KDM4EHTTNPSR1GAA
SCHEMBL17499135 0.79 KDM4E (0.33) ALDH1A1KDM4EHTTNPSR1GAA
SCHEMBL1254916 0.72 LPO (0.43) ALDH1A1KDM4EHTTHPGDKMT2A
SCHEMBL2380580 0.71 KCNJ1 (0.34) MAPTALDH1A1KDM4ERECQLPOLB
SCHEMBL2380573 0.71 KCNJ1 (0.34) MAPTALDH1A1KDM4ERECQLPOLB
SCHEMBL18855886 0.71 PTP4A3 (0.33)
SCHEMBL814014 0.71 KDM4E (0.60) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4256486 0.71 LPO (0.39) ALDH1A1HTTHPGDKMT2AMEN1

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 MAPT 2682/4885ALDH1A1 3008/4885SMN1; SMN2 3712/4885

“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.