SCHEMBL12460927

SCHEMBL12460927

c1ccc(-c2nc(-c3ccccc3)nc(N(c3ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 2/20 0.39
NTSR1 P30989 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
BACE1 P56817 1/20 0.35
FGFR1 P11362 1/20 0.35
DYRK3 O43781 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
SCHEMBL12460069 0.95 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL24255861 0.94 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12071801 0.94 L3MBTL1 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL24255826 0.94 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12460067 0.92 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14208887 0.92 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14208904 0.92 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL16383434 0.90 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL16383716 0.90 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL11892566 0.90 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9496504-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-9496504-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-20120305851-A1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2012-12-06 US disclosed
US-20120305851-A1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2012-12-06 US disclosed
WO-2011085781-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-07-21 WO 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-20120305851-A1 Materials for Organic Electroluminescent Devices L1CAM, EFNA1, EPCAM ALDH1A1 27/4885MAPT 1887/4885MEN1 334/4885

“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.