SCHEMBL27211133

SCHEMBL27211133

CC(Br)C(=O)Nc1ccc(Oc2cc(F)c(F)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.41
▸ MET P08581 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FFAR2 O15552 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PORCN Q9H237 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CSF1R P07333 1/20 0.36

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
SCHEMBL29077942 0.88 MAPK14 (0.44) METALDH1A1LMNARAB9AFFAR2
SCHEMBL24297725 0.88 MAPK14 (0.44) METALDH1A1LMNARAB9AFFAR2
SCHEMBL31132558 0.87 IDO1 (0.42) IDO1ALDH1A1LMNARAB9AMAPK1
SCHEMBL27211481 0.85 FFAR2 (0.39) IDO1METALDH1A1LMNARAB9A
SCHEMBL27210967 0.83 ALDH1A1 (0.40) IDO1METALDH1A1LMNARAB9A
SCHEMBL24298066 0.83 FFAR2 (0.45) ALDH1A1LMNARAB9AFFAR2SMN1; SMN2
SCHEMBL27211262 0.82 GCK (0.46) METALDH1A1LMNARAB9AL3MBTL1
SCHEMBL31132457 0.82 MRGPRX2 (0.43) IDO1ALDH1A1RAB9ATDP1
SCHEMBL29563814 0.82 MRGPRX2 (0.43) IDO1ALDH1A1RAB9ATDP1
SCHEMBL27211501 0.82 MRGPRX2 (0.43) IDO1ALDH1A1RAB9ATDP1

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-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US 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 IDO1 1547/4885MET 1740/4885ALDH1A1 4347/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 IDO1 1547/4885MET 1740/4885ALDH1A1 4347/4885

“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.

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