SCHEMBL31107157

SCHEMBL31107157

O=C(Nc1cccc(Cl)c1)c1cnc(N2CCCCC2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.67
▸ P2RY12 Q9H244 2/20 0.58
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ P4HTM Q9NXG6 1/20 0.53
▸ LMNA P02545 3/20 0.52
▸ MAOB P27338 1/20 0.52
▸ MALT1 Q9UDY8 1/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49

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
SCHEMBL13930624 1.00 SLC2A1 (0.67) SLC2A1P2RY12NPC1RAB9AP4HTM
SCHEMBL3677907 0.99 SLC2A1 (0.68) SLC2A1P2RY12NPC1RAB9AP4HTM
SCHEMBL3687374 0.97 SLC2A1 (0.68) SLC2A1P2RY12NPC1RAB9AP4HTM
SCHEMBL3683318 0.89 SLC2A1 (0.65) SLC2A1P2RY12NPC1RAB9AP4HTM
SCHEMBL4252921 0.89 SLC2A1 (0.67) SLC2A1P2RY12NPC1RAB9AP4HTM
SCHEMBL4258257 0.89 SLC2A1 (0.67) SLC2A1P2RY12RAB9AP4HTMLMNA
SCHEMBL31107155 0.87 SLC2A1 (0.62) SLC2A1P2RY12P4HTMLMNAMAOB
SCHEMBL13930613 0.87 SLC2A1 (0.62) SLC2A1P2RY12P4HTMLMNAMAOB
SCHEMBL31107158 0.86 P2RY12 (0.63) SLC2A1P2RY12NPC1RAB9ALMNA
SCHEMBL13930702 0.86 P2RY12 (0.63) SLC2A1P2RY12NPC1RAB9ALMNA

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-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-19 — — US disclosed
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-05 — — 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-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME HRH4, VIPR1, TAAR1 SLC2A1 1885/4885P2RY12 1169/4885NPC1 3272/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 SLC2A1 130/4885P2RY12 1964/4885NPC1 935/4885

“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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