SCHEMBL30899662

SCHEMBL30899662

CCC(=O)Nc1ccc(Oc2ccc(F)cn2)cn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ PRKAA2 P54646 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GRM5 P41594 2/20 0.42

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
SCHEMBL30473406 0.87 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL18629790 0.85 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL29563708 0.85 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL29806041 0.82 ABL1 (0.46) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL30473427 0.81 ABL1 (0.47) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL29564053 0.81 FFAR2 (0.47) CXCR2RAB9APRKAA2ALDH1A1GRM5
SCHEMBL30899665 0.78 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL18629918 0.77 NPC1 (0.56) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL13434074 0.77 RAB9A (0.53) HSD17B10SMN1; SMN2NPC1RAB9ATP53
SCHEMBL30071293 0.77 NPC1 (0.56) HSD17B10SMN1; SMN2NPC1RAB9ATP53

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-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US claimed

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 CXCR2 299/4885HSD17B10 2674/4885SMN1; SMN2 502/4885

“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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