SCHEMBL12166124

SCHEMBL12166124

CC(C)(O)c1ncccc1-n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.41
MEN1 O00255 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH1 P35367 1/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SLC22A12 Q96S37 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGER4 P35408 1/20 0.32
LMNA P02545 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
DNM1 Q05193 1/20 0.32
GRM4 Q14833 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL1893467 0.81 TSPO (0.42) TSPOMEN1RAD52KMT2AALDH1A1
SCHEMBL12166126 0.81 TSPO (0.39) TSPOMEN1RAD52KMT2AHRH1
SCHEMBL12166093 0.79 DDB1 (0.33) TSPOHRH1HTR6ALDH1A1SLC22A12
SCHEMBL1894782 0.77 TSPO (0.38) TSPOMEN1RAD52KMT2AALDH1A1
SCHEMBL12166118 0.77 TSPO (0.38) TSPOMEN1RAD52KMT2AALDH1A1
SCHEMBL12166109 0.75 ELANE (0.50) TSPOALDH1A1TSHR
SCHEMBL27119982 0.75 TSPO (0.41) TSPOMEN1RAD52KMT2AHTR6
SCHEMBL16593214 0.74 TSPO (0.42) TSPOMEN1RAD52KMT2AHRH1
SCHEMBL13733844 0.74 TSPO (0.39) TSPOMEN1RAD52KMT2AHTR6
SCHEMBL12166092 0.74 KRAS (0.35) TSPOMEN1KMT2AALDH1A1SLC22A12

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 TSPO 2385/4885MEN1 1948/4885RAD52 1704/4885

“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.