SCHEMBL29327557

SCHEMBL29327557

Cc1ccc(-c2ccccn2)cc1-c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.50
DCTPP1 Q9H773 1/20 0.45
MAPK14 Q16539 1/20 0.43
TGFBR1 P36897 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAOB P27338 1/20 0.39
RET P07949 1/20 0.39
RIPK1 Q13546 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
ADK P55263 1/20 0.39

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
SCHEMBL2480251 0.89 GRM5 (0.51) GRM5DCTPP1TGFBR1NPC1RAB9A
SCHEMBL29327583 0.87 NPC1 (0.44) GRM5DCTPP1MAPK14TGFBR1NPC1
SCHEMBL29327551 0.85 NPC1 (0.42) GRM5DCTPP1MAPK14TGFBR1NPC1
SCHEMBL21742630 0.85 MAPK14 (0.48) GRM5MAPK14TGFBR1NPC1RAB9A
SCHEMBL647518 0.84 GRM5 (0.64) GRM5DCTPP1NPC1RAB9AMAPT
SCHEMBL21980592 0.84 GRM5 (0.51) GRM5DCTPP1TGFBR1NPC1RAB9A
SCHEMBL29327575 0.83 CYP2A6 (0.43) GRM5MAPK14TGFBR1NPC1RAB9A
SCHEMBL751847 0.83 GRM5 (0.62) GRM5DCTPP1NPC1RAB9AMAPT
SCHEMBL752286 0.83 GRM5 (0.62) GRM5DCTPP1NPC1RAB9AMAPT
SCHEMBL28007675 0.83 GRM5 (0.62) GRM5DCTPP1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240244951-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2024-07-18 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-20240244951-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME ORC3, PPOX, DDT GRM5 1514/4885DCTPP1 2454/4885MAPK14 4294/4885

“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.