SCHEMBL29077942

SCHEMBL29077942

CC(Br)C(=O)Nc1ccc(Oc2ccc(F)cc2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ GCK P35557 1/20 0.42
▸ MRGPRX2 Q96LB1 1/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MET P08581 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ TRPA1 O75762 1/20 0.39

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
SCHEMBL24297725 1.00 MAPK14 (0.44) MAPK14ALDH1A1RAB9ACARM1PRMT6
SCHEMBL24297741 0.89 MAPK14 (0.44) MAPK14ALDH1A1RAB9ACARM1PRMT6
SCHEMBL27211133 0.88 IDO1 (0.41) ALDH1A1RAB9AFFAR2MAPTLMNA
SCHEMBL27210967 0.86 ALDH1A1 (0.40) ALDH1A1RAB9AGCKFFAR2MAPT
SCHEMBL24298066 0.86 FFAR2 (0.45) ALDH1A1RAB9AFFAR2LMNAABL1
SCHEMBL27211110 0.85 SLC6A4 (0.47) ALDH1A1RAB9AFFAR2LMNAMET
SCHEMBL27211481 0.85 FFAR2 (0.39) ALDH1A1RAB9AFFAR2MAPTLMNA
SCHEMBL24297738 0.84 MRGPRX2 (0.55) MAPK14ALDH1A1RAB9ACARM1PRMT6
SCHEMBL31133294 0.84 MRGPRX2 (0.55) MAPK14ALDH1A1RAB9ACARM1PRMT6
SCHEMBL29564001 0.84 FFAR2 (0.41) ALDH1A1RAB9AFFAR2LMNAMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 — — EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 — — WO disclosed
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
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 MAPK14 3094/4885ALDH1A1 4347/4885RAB9A 1337/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 MAPK14 3094/4885ALDH1A1 4347/4885RAB9A 1337/4885

“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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