SCHEMBL3645013

SCHEMBL3645013

O=C(Nc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
KDM4E B2RXH2 2/20 0.74
MAPT P10636 2/20 0.74
PKM P14618 1/20 0.74
BCAT2 O15382 1/20 0.71
ALDH1A1 P00352 1/20 0.62
KCNQ3 O43525 1/20 0.60
KCNQ2 O43526 1/20 0.60
KCNE1 P15382 1/20 0.60
KCNQ1 P51787 1/20 0.60
PTPN1 P18031 1/20 0.59
PRMT1 Q99873 1/20 0.59
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL12190100 0.90 MEN1 (0.71) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12190091 0.90 NPC1 (0.71) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3786373 0.86 SMO (0.64) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5832371 0.86 MAPT (0.61) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3789815 0.86 PPARG (0.74) MEN1KMT2AMAPTPKMHDAC8
SCHEMBL12190102 0.86 KDM4E (0.72) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4254150 0.86 MEN1 (0.80) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3644788 0.85 NPC1 (0.73) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL13349339 0.85 MAPT (0.59) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL14724651 0.85 TAS1R3 (0.60) MEN1KMT2ANPC1RAB9AKDM4E

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 10 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
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US 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-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
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 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
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 (4 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 MEN1 1534/4885KMT2A 1844/4885NPC1 3272/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 MEN1 1233/4885KMT2A 632/4885NPC1 869/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 MEN1 817/4885KMT2A 1425/4885NPC1 935/4885
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 MEN1 303/4885KMT2A 41/4885NPC1 3667/4885

“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.