SCHEMBL25344789

SCHEMBL25344789

O=C(O)Nc1ccc(C(O)C2CCCCC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.51
▸ HCAR3 P49019 3/20 0.43
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DEGS1 O15121 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL29457481 0.81 DHODH (0.47) DHODHNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL26081151 0.73 DHODH (0.44) DHODHALDH1A1
SCHEMBL23270830 0.72 DEGS1 (0.55) HCAR3NPC1RAB9ASMN1; SMN2DEGS1
SCHEMBL29078027 0.71 DHODH (0.44) DHODHMEN1KMT2A
SCHEMBL15718927 0.69 KDM4E (0.54) HCAR3RAB9ASMN1; SMN2DEGS1KDM4E
SCHEMBL23089212 0.68 MCHR1 (0.40) HCAR3DEGS1
SCHEMBL23089215 0.68 MCHR1 (0.40) HCAR3DEGS1
SCHEMBL11901020 0.67 DHODH (0.55) DHODHHCAR3KMT2A
SCHEMBL16751973 0.67 FFAR2 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10021103 0.67 DHODH (0.58) DHODHNPC1RAB9ASMN1; SMN2MEN1

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
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 — — EP 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 DHODH 4393/4885HCAR3 1086/4885NPC1 1123/4885

“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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