SCHEMBL29564652

SCHEMBL29564652

CC(Br)C(=O)Nc1ccc(Oc2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
CASP3 P42574 1/20 0.51
KMT2A Q03164 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
GCK P35557 2/20 0.48
ALDH1A1 P00352 4/20 0.45
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL24932138 0.89 RAB9A (0.53) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL29563676 0.88 CYP2C19 (0.48) NPC1RAB9AALDH1A1ABL1HPGD
SCHEMBL27211120 0.88 CYP2C19 (0.48) NPC1RAB9AALDH1A1ABL1HPGD
SCHEMBL31132625 0.88 NPC1 (0.53) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL27211103 0.88 RAF1 (0.43) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL24298066 0.88 FFAR2 (0.45) NPC1RAB9AALDH1A1ABL1LMNA
SCHEMBL27211414 0.85 KDM4E (0.47) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL27211065 0.85 ALDH1A1 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29563929 0.83 P4HTM (0.52) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL27211083 0.83 P4HTM (0.52) NPC1RAB9AMEN1KMT2AGCK

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
WO-2022152852-A1 ANTAGONISTS OF MRGX2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-07-21 WO 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 NPC1 1123/4885RAB9A 1337/4885MEN1 455/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 NPC1 1123/4885RAB9A 1337/4885MEN1 455/4885

“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.