SCHEMBL27210883

SCHEMBL27210883

CC(Br)C(=O)Nc1ccc(Cc2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 1/20 0.44
DEGS1 O15121 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TBXAS1 P24557 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 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
SCHEMBL29563851 1.00 TSHR (0.44) TSHRL3MBTL1LMNADEGS1GAA
SCHEMBL24932393 0.89 L3MBTL1 (0.55) TSHRL3MBTL1LMNADEGS1GAA
SCHEMBL29564193 0.88 TBXAS1 (0.51) LMNATP53KMT2ATBXAS1POLB
SCHEMBL27211365 0.88 TBXAS1 (0.51) LMNATP53KMT2ATBXAS1POLB
SCHEMBL27211081 0.88 TSHR (0.47) TSHRL3MBTL1LMNAMAPTALDH1A1
SCHEMBL31132788 0.88 FFAR2 (0.45) L3MBTL1LMNANPC1RAB9AALDH1A1
SCHEMBL27211200 0.86 ALDH1A1 (0.47) TSHRL3MBTL1LMNAMAPTNPC1
SCHEMBL29563929 0.81 P4HTM (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL27211083 0.81 P4HTM (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL27211020 0.80 GLS (0.49) L3MBTL1ALDH1A1

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-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 TSHR 517/4885L3MBTL1 3823/4885LMNA 1856/4885

“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.