SCHEMBL26980213

SCHEMBL26980213

C#CCn1c(=O)[nH]c(N)c(NC(=O)CCc2ccc(C(C)C)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 2/20 0.36
▸ MAOB P27338 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ FKBP1A P62942 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ EPHX1 P07099 1/20 0.32

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
SCHEMBL29499415 0.89 SMN1; SMN2 (0.36) RAB9AALDH1A1MAPTSMN1; SMN2ATM
SCHEMBL24305416 0.87 TSHR (0.35) RAB9AALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL24304732 0.87 ADORA3 (0.43) POLBMAPTSMN1; SMN2ATMMEN1
SCHEMBL24304750 0.86 PKM (0.44) RAB9AALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL26980000 0.85 TSHR (0.41) POLBMAPTSMN1; SMN2ATMGAA
SCHEMBL24305167 0.84 MCHR1 (0.41) POLBMAOBGAA
SCHEMBL24304729 0.81 TNKS (0.38) L3MBTL1GAAKMT2AADORA3ADORA2B
SCHEMBL24305162 0.80 TNKS2 (0.38) ALDH1A1POLBMAPTSMN1; SMN2ATM
SCHEMBL24304730 0.77 ADORA2B (0.41) RAB9AMAOBMAPTSMN1; SMN2MEN1
SCHEMBL29499444 0.77 ADORA3 (0.38) SMN1; SMN2ATMKMT2AADORA3ADORA2B

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-20240002416-A1 MRGPRX4 Agonists and Antagonists RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2024-01-04 — — 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-20240002416-A1 MRGPRX4 Agonists and Antagonists MRGPRX4, MRGPRX1, MRGPRX2 RAB9A 1047/4885ALDH1A1 2949/4885L3MBTL1 3688/4885

“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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