SCHEMBL403894

SCHEMBL403894

[c]1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.43
ADK P55263 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
SCN2A Q99250 3/20 0.42
NPY5R Q15761 2/20 0.42
DCUN1D1 Q96GG9 3/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
BTK Q06187 1/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
HPGDS O60760 2/20 0.36
ALOX15 P16050 1/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL4041670 0.96 MTOR (0.41) MTORADKNISCHSCN2ANPY5R
SCHEMBL4046324 0.86 KMO (0.40) NISCHALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL4043823 0.82 MKNK1 (0.41) NPY5RCYP1A2CYP3A4IDO1
SCHEMBL4046862 0.79 MEN1 (0.55) NPY5RALDH1A1NPC1RAB9AKDM4E
SCHEMBL4044973 0.79 ASIC3 (0.45) MTORADKNISCHNPY5RCYP1A2
SCHEMBL2652005 0.78 SMN1; SMN2 (0.38) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL17626003 0.78 KDM4E (0.41) SCN2ANPY5RDCUN1D1NR1H2NR1H3
SCHEMBL4047558 0.78 DGAT1 (0.37) NR1H2NR1H3ALDH1A1NPC1RAB9A
SCHEMBL4049587 0.78 ALDH1A1 (0.41) MTORALDH1A1NPC1RAB9AKDM4E
SCHEMBL4050439 0.77 CYP11B2 (0.42) SCN2ANPY5RRAB9AMEN1CYP1A2

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 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
CN-107949380-B Benzenesulfonamide up-regulator of NPC1 for niemann-pick disease and other lysosomal storage diseases 西奈山伊坎医学院 2021-07-06 CN claimed
US-10239830-B2 Benzenesulfonamide upregulators of NPC1 for Neimann-Pick disease and other lysosomal storage disorders ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-03-26 US claimed
US-20180044286-A1 BENZENESULFONAMIDE UPREGULATORS OF NPC1 FOR NEIMANN-PICK DISEASE AND OTHER LYSOSOMAL STORAGE DISORDERS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-02-15 US claimed
EP-3256116-A1 BENZENESULFONAMIDE UPREGULATORS OF NPC1 FOR NEIMANN-PICK DISEASE AND OTHER LYSOSOMAL STORAGE DISORDERS Icahn School of Medicine at Mount Sinai (US) 2017-12-20 EP claimed
WO-2016130774-A1 BENZENESULFONAMIDE UPREGULATORS OF NPC1 FOR NEIMANN-PICK DISEASE AND OTHER LYSOSOMAL STORAGE DISORDERS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-08-18 WO claimed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
US-6534503-B1 Treating sexual dysfunction, such as erectile dysfunction or sexual arousal disorder, with a compound having the generic formula X1-X2-(D)Phe-Arg-(D)Trp-X3. A particularly useful compound is HP-228, which has the formula LION BIOSCIENCE AG (DE) 2003-03-18 US claimed
EP-1214330-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-06-19 EP claimed
WO-2001021634-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-29 WO claimed
CN-1265033-A Certain diarylimidaozle derivatives, new class of NPY speific ligands NEUROGEN CORP (US) 2000-08-30 CN claimed
CN-115335445-B Tackifier composition 花王株式会社 2024-05-03 CN disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 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 (6 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 MTOR 2454/4885ADK 1072/4885NISCH 2463/4885
US-10239830-B2 Benzenesulfonamide upregulators of NPC1 for Neimann-Pick disease and other lysosomal storage disorders GBA1, NPC1, NPC1L1 MTOR 2261/4885ADK 4279/4885NISCH 229/4885
US-20180044286-A1 BENZENESULFONAMIDE UPREGULATORS OF NPC1 FOR NEIMANN-PICK DISEASE AND OTHER LYSOSOMAL STORAGE DISORDERS GBA1, NPC1, NPC1L1 MTOR 2261/4885ADK 4279/4885NISCH 229/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 MTOR 3036/4885ADK 1309/4885NISCH 2644/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 MTOR 3245/4885ADK 1208/4885NISCH 3631/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 MTOR 3036/4885ADK 1309/4885NISCH 2644/4885

“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.