SCHEMBL3683318

SCHEMBL3683318

O=C(Nc1cccc(Cl)c1)c1cnc(N2CCNCC2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.65
▸ P2RY12 Q9H244 4/20 0.56
▸ MAOB P27338 1/20 0.53
▸ P4HTM Q9NXG6 1/20 0.51
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ MALT1 Q9UDY8 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GRM4 Q14833 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL3687374 0.90 SLC2A1 (0.68) SLC2A1P2RY12MAOBP4HTMCHRNB2
SCHEMBL3677907 0.90 SLC2A1 (0.68) SLC2A1P2RY12MAOBP4HTMCHRNB2
SCHEMBL31107157 0.89 SLC2A1 (0.67) SLC2A1P2RY12MAOBP4HTMCHRNB2
SCHEMBL13930624 0.89 SLC2A1 (0.67) SLC2A1P2RY12MAOBP4HTMCHRNB2
SCHEMBL4258257 0.87 SLC2A1 (0.67) SLC2A1P2RY12MAOBP4HTMMALT1
SCHEMBL4252921 0.87 SLC2A1 (0.67) SLC2A1P2RY12MAOBP4HTMMALT1
SCHEMBL31107155 0.85 SLC2A1 (0.62) SLC2A1P2RY12MAOBP4HTMCHRNB2
SCHEMBL13930613 0.85 SLC2A1 (0.62) SLC2A1P2RY12MAOBP4HTMCHRNB2
SCHEMBL3679282 0.83 P4HTM (0.58) P4HTMSMN1; SMN2RAB9AALDH1A1MAPT
3-Chloroaniline SCHEMBL3676148 0.82 SLC2A1 (0.61) SLC2A1P2RY12MAOBP4HTMMALT1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP claimed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO claimed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US claimed
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
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — 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 (3 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 1169/4885MAOB 638/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 SLC2A1 2534/4885P2RY12 1299/4885MAOB 48/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 SLC2A1 130/4885P2RY12 1964/4885MAOB 335/4885

“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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