SCHEMBL29327583

SCHEMBL29327583

Cc1ccc(-c2ccccn2)cc1-c1cc(Br)cc(-c2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
MAPK14 Q16539 1/20 0.40
RET P07949 1/20 0.39
RIPK1 Q13546 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
GRM5 P41594 1/20 0.39
PDK2 Q15119 1/20 0.38
TGFBR1 P36897 1/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29327557 0.87 GRM5 (0.50) NPC1KDM4EPKMRAB9AMEN1
SCHEMBL29327569 0.87 TRPV1 (0.39) NPC1KDM4EPKMRAB9AMEN1
SCHEMBL29327575 0.85 CYP2A6 (0.43) NPC1KDM4EPKMRAB9AMEN1
SCHEMBL29327551 0.84 NPC1 (0.42) NPC1KDM4EPKMRAB9AMEN1
SCHEMBL18015279 0.83 PDK2 (0.42) NPC1KDM4EPKMRAB9AMEN1
SCHEMBL21742630 0.83 MAPK14 (0.48) NPC1KDM4EPKMRAB9AMEN1
SCHEMBL21022955 0.82 NPC1 (0.49) NPC1KDM4EPKMRAB9AMEN1
SCHEMBL9958239 0.82 KDM4E (0.54) NPC1KDM4EPKMRAB9ATP53
SCHEMBL31400225 0.81 NPC1 (0.49) NPC1KDM4EPKMRAB9AMEN1
SCHEMBL21988551 0.81 NPC1 (0.49) NPC1KDM4EPKMRAB9AMEN1

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 NPC1 3136/4885KDM4E 1913/4885PKM 1642/4885

“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.