SCHEMBL27211337

SCHEMBL27211337

CC(Br)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 1/20 0.51
PTK2 Q05397 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL29078004 1.00 L3MBTL1 (0.51) L3MBTL1MAPK1PTK2NPC1RAB9A
SCHEMBL31132625 0.88 NPC1 (0.53) L3MBTL1MAPK1PTK2NPC1RAB9A
SCHEMBL29078002 0.86 L3MBTL1 (0.65) L3MBTL1MAPK1PTK2NPC1RAB9A
SCHEMBL29078001 0.86 L3MBTL1 (0.65) L3MBTL1MAPK1PTK2NPC1RAB9A
SCHEMBL29564053 0.86 FFAR2 (0.47) RAB9AALDH1A1LMNAFPR2SCN9A
SCHEMBL27211065 0.82 ALDH1A1 (0.46) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL29564753 0.81 KDR (0.40) L3MBTL1MAPK1NPC1RAB9ATSHR
SCHEMBL27211368 0.81 KDR (0.40) L3MBTL1MAPK1NPC1RAB9ATSHR
SCHEMBL29564652 0.79 NPC1 (0.51) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL27211460 0.78 ALDH1A1 (0.55) L3MBTL1MAPK1NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 L3MBTL1 3823/4885MAPK1 1827/4885PTK2 3584/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 L3MBTL1 3823/4885MAPK1 1827/4885PTK2 3584/4885

“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.