SCHEMBL21135430

SCHEMBL21135430

CC(C)n1ncc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PTGIR P43119 2/20 0.41
RAB9A P51151 8/20 0.41
NPC1 O15118 8/20 0.41
AHR P35869 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL23401005 0.81 RAB9A (0.39) PTGIRRAB9ANPC1AHRMAPT
SCHEMBL27217102 0.81 HTR2A (0.40) HTR2AHTR2CHTR2BRAB9ANPC1
SCHEMBL23399704 0.81 HTR2A (0.40) HTR2AHTR2CHTR2BPTGIRSMN1; SMN2
SCHEMBL10555155 0.81 PTGIR (0.37) HTR2AHTR2CHTR2BPTGIRRAB9A
SCHEMBL7918572 0.78 PTGS2 (0.51) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11620819 0.76 CCNC (0.45) PTGIRRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9877332 0.74 MAPT (0.54) PTGIRRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10508644 0.74 HIF1A (0.53) PTGIRRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7912407 0.71 NPC1 (0.65) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL1554460 0.70 NPC1 (0.39) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-27 US disclosed
US-20190198773-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND INCLUDING NITROGEN FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-27 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 (2 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-20190198773-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND INCLUDING NITROGEN FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, CHRM1, FOXM1 HTR2A 3396/4885HTR2C 3368/4885HTR2B 3106/4885
US-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device L1CAM, CHRM1, FOXM1 HTR2A 3396/4885HTR2C 3368/4885HTR2B 3106/4885

“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.