SCHEMBL26433622

SCHEMBL26433622

Brc1cnc(-c2ccccc2)cc1-c1cc(-c2ccccc2)ncc1Br

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
LDHA P00338 2/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ASIC3 Q9UHC3 2/20 0.44
MIF P14174 1/20 0.44
RAB9A P51151 2/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL19781098 0.94 MAPK1 (0.46) NPC1LDHAIDO1TDO2ASIC3
SCHEMBL18788565 0.87 NPC1 (0.47) NPC1LDHAIDO1TDO2ASIC3
SCHEMBL15420845 0.82 LDHA (0.57) NPC1LDHAIDO1TDO2ASIC3
SCHEMBL31748742 0.82 HPGD (0.44) NPC1LDHAIDO1TDO2ASIC3
SCHEMBL21290347 0.81 IDO1 (0.54) NPC1IDO1TDO2RAB9AALDH1A1
SCHEMBL18015464 0.79 MAPK1 (0.55) NPC1LDHAIDO1TDO2ASIC3
SCHEMBL17811400 0.79 DYRK1A (0.43) NPC1IDO1TDO2GSK3AGSK3B
SCHEMBL4799119 0.78 LDHA (0.53) NPC1LDHAIDO1TDO2ASIC3
SCHEMBL5653453 0.77 NPC1 (0.50) NPC1LDHAIDO1TDO2ASIC3
SCHEMBL30415726 0.77 MAPK1 (0.46) NPC1IDO1RAB9AALDH1A1MAPK1

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-20230126543-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-27 US disclosed
US-20230126543-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-27 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 (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-20230126543-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CYP1A1, AOX1, CRY1 NPC1 2471/4885LDHA 447/4885IDO1 1007/4885

“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.