SCHEMBL12166128

SCHEMBL12166128

CC(C)(O)c1cnccc1-n1c2ccc(Br)cc2c2cccnc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
KDM4E B2RXH2 3/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RCE1 Q9Y256 1/20 0.30
PDE4A P27815 1/20 0.30
KCNH2 Q12809 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL12166093 0.88 DDB1 (0.33) MAPTALDH1A1DDB1CRBNKDM4E
SCHEMBL1894782 0.86 TSPO (0.38) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL12166116 0.78 HSD17B10 (0.44) MAPTMEN1MAPK1KMT2AKDM4E
SCHEMBL12166087 0.77 ACHE (0.35) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL12166118 0.77 TSPO (0.38) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL12166092 0.76 KRAS (0.35) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL12166126 0.74 TSPO (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12166124 0.71 TSPO (0.41) ALDH1A1MEN1KMT2A
SCHEMBL1893467 0.71 TSPO (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12166010 0.71 MAOA (0.44) ALDH1A1DDB1CRBNKDM4EPOLB

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-9012599-B2 Nitrogen-containing condensed heterocyclic compounds for OLEDs MERCK PATENT GMBH (DE) 2015-04-21 US disclosed
US-9012599-B2 Nitrogen-containing condensed heterocyclic compounds for OLEDs MERCK PATENT GMBH (DE) 2015-04-21 US disclosed
US-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-09-13 US disclosed
US-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-09-13 US disclosed
WO-2011060867-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS MERCK PATENT GMBH (DE) 2011-05-26 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-20120232241-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUNDS FOR OLEDS OCIAD2, OCIAD1, ODC1 MAPT 1802/4885ALDH1A1 1351/4885MEN1 1948/4885

“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.