SCHEMBL27210967

SCHEMBL27210967

CC(Br)C(=O)Nc1ccc(Oc2c(F)cc(F)cc2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ FFAR2 O15552 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ GCK P35557 3/20 0.38
▸ RARG P13631 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MET P08581 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
SCHEMBL27211262 0.89 GCK (0.46) ALDH1A1RAB9ALMNAGCKSMN1; SMN2
SCHEMBL24297725 0.86 MAPK14 (0.44) ALDH1A1RAB9AFFAR2LMNAABL1
SCHEMBL29564001 0.86 FFAR2 (0.41) ALDH1A1RAB9AFFAR2IDO1LMNA
SCHEMBL24298055 0.86 FFAR2 (0.41) ALDH1A1RAB9AFFAR2IDO1LMNA
SCHEMBL29077942 0.86 MAPK14 (0.44) ALDH1A1RAB9AFFAR2LMNAABL1
SCHEMBL24298066 0.85 FFAR2 (0.45) ALDH1A1RAB9AFFAR2LMNAABL1
SCHEMBL27211304 0.84 ALDH1A1 (0.34) ALDH1A1RAB9AFFAR2IDO1LMNA
SCHEMBL27211300 0.84 ALDH1A1 (0.34) ALDH1A1RAB9AFFAR2IDO1LMNA
SCHEMBL31132558 0.84 IDO1 (0.42) ALDH1A1RAB9AFFAR2IDO1LMNA
SCHEMBL27211133 0.83 IDO1 (0.41) ALDH1A1RAB9AFFAR2IDO1LMNA

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 ALDH1A1 4347/4885RAB9A 1337/4885FFAR2 541/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 ALDH1A1 4347/4885RAB9A 1337/4885FFAR2 541/4885

“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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