SCHEMBL916128

SCHEMBL916128

O=c1[nH]cnc2sc3c(c12)CCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 1.00
HTT P42858 4/20 0.94
KMT2A Q03164 2/20 0.94
CHEK1 O14757 1/20 0.94
TSHR P16473 1/20 0.94
GAA P10253 3/20 0.91
ALDH1A1 P00352 5/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 2/20 0.52
GLA P06280 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
BRD4 O60885 4/20 0.51
RXFP1 Q9HBX9 2/20 0.51
LIMK1 P53667 1/20 0.50
PARP1 P09874 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL736600 0.97 HTT (1.00) NPSR1HTTKMT2ACHEK1TSHR
SCHEMBL914710 0.95 GAA (1.00) NPSR1HTTKMT2ACHEK1TSHR
SCHEMBL2951788 0.81 NPSR1 (0.68) NPSR1HTTKMT2ACHEK1TSHR
SCHEMBL914395 0.81 NPSR1 (0.68) NPSR1HTTKMT2ACHEK1TSHR
SCHEMBL3637702 0.80 HTT (0.67) NPSR1HTTKMT2ACHEK1TSHR
SCHEMBL4694133 0.80 HTT (0.67) NPSR1HTTKMT2ACHEK1TSHR
SCHEMBL4691404 0.79 HTT (0.65) NPSR1HTTKMT2ACHEK1TSHR
SCHEMBL14459794 0.78 HTT (0.63) NPSR1HTTKMT2ACHEK1TSHR
SCHEMBL939440 0.78 KDM4E (0.64) NPSR1HTTKMT2ACHEK1TSHR
SCHEMBL938939 0.78 KDM4E (0.63) NPSR1HTTKMT2ACHEK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340495-B O-nitrobenzene compound and preparation method and application thereof 华东理工大学 2024-12-03 CN disclosed
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
CN-111087345-B Azobenzene heterocyclic amide derivative, and preparation method and application thereof 华东理工大学 2024-10-15 CN disclosed
CN-113150053-B Azobenzene avermectin derivative and preparation method and application thereof 华东理工大学 2024-10-01 CN disclosed
CN-114105986-B Aromatic condensed ring diketone compound and preparation method and application thereof 华东理工大学 2024-09-27 CN disclosed
WO-2024179532-A1 ANTIBACTERIAL AND SYNERGISTIC ACTIVE COMPOUND AND USE THEREOF 华东理工大学 2024-09-06 WO disclosed
CN-118557575-A Antibacterial synergistic active compound and application thereof 华东理工大学 2024-08-30 CN disclosed
CN-116102553-A Aromatic condensed ring imine compound, and preparation method and application thereof 华东理工大学 2023-05-12 CN disclosed
CN-115991693-A Coumarin-containing compound and preparation method and application thereof 华东理工大学 2023-04-21 CN disclosed
CN-115124487-A Preparation method and application of arylimino thiazole compounds 华东理工大学 2022-09-30 CN disclosed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
EP-2257555-A1 THIENO[2,3-D]-PYRIMIDINE-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF National Chemical Laboratory (IN) 2010-12-08 EP disclosed
US-20100273815-A1 THIENO[2,3-D]-PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF FDC LIMITED 2010-10-28 US disclosed
WO-2010075561-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-01 WO disclosed
WO-2009109983-A1 THIENO[2,3-D]-PYRIMIDINE-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF NATIONAL CHEMICAL LABORATORY (IN) 2009-09-11 WO disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
US-6849638-B2 4-AMINO-5,6-SUBSTITUTED THIOPHENO [2,3-D] PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND THEIR USE IN THE TREATMENT OR PREVENTION OF PDE7B-MEDIATED DISEASES AND CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-01 US disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 WO disclosed
US-20030119829-A1 4-amino-5,6-substituted thiopheno [2,3-d] pyrimidines, pharmaceutical compositions containing the same, and their use in the treatment or prevention of PDE7B-mediated diseases and conditions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-06-26 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 NPSR1 1988/4885HTT 3172/4885KMT2A 2584/4885
US-20030119829-A1 4-amino-5,6-substituted thiopheno [2,3-d] pyrimidines, pharmaceutical compositions containing the same, and their use in the treatment or prevention of PDE7B-mediated diseases and conditions PDE7B, PDE4B, PDE7A NPSR1 3564/4885HTT 4454/4885KMT2A 2143/4885
US-20100273815-A1 THIENO[2,3-D]-PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF ERG28, DPM1, CYP51A1 NPSR1 2860/4885HTT 4006/4885KMT2A 4354/4885

“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.