SCHEMBL29564001

SCHEMBL29564001

CC(Br)C(=O)Nc1ccc(Oc2ncc(F)cc2F)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.41
▸ PTGER4 P35408 1/20 0.39
▸ MET P08581 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GRM5 P41594 3/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL24298055 1.00 FFAR2 (0.41) FFAR2PTGER4METALDH1A1RAB9A
SCHEMBL31132836 0.89 FFAR2 (0.44) FFAR2PTGER4METALDH1A1CYP1A2
SCHEMBL27211417 0.86 HPGD (0.40) FFAR2CYP1A2CYP2C9
SCHEMBL27210967 0.86 ALDH1A1 (0.40) FFAR2METALDH1A1RAB9AIDO1
SCHEMBL27210780 0.84 CARM1 (0.42) METALDH1A1RAB9ALMNATDP1
SCHEMBL24297725 0.84 MAPK14 (0.44) FFAR2METALDH1A1RAB9ALMNA
SCHEMBL29077942 0.84 MAPK14 (0.44) FFAR2METALDH1A1RAB9ALMNA
SCHEMBL24298066 0.83 FFAR2 (0.45) FFAR2ALDH1A1RAB9ALMNA
SCHEMBL29564448 0.83 CYP3A4 (0.53) CYP1A2CYP3A4CYP2C9SLC6A3
SCHEMBL27211265 0.83 CYP3A4 (0.53) CYP1A2CYP3A4CYP2C9SLC6A3

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-2022073905-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — 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 FFAR2 541/4885PTGER4 457/4885MET 1740/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 FFAR2 541/4885PTGER4 457/4885MET 1740/4885

“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.

Send feedback