SCHEMBL2117869

SCHEMBL2117869

O=C(Nc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.71
HDAC2 Q92769 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
KMT2A Q03164 5/20 0.68
NT5E P21589 1/20 0.68
PTGS2 P35354 1/20 0.68
MEN1 O00255 4/20 0.67
NAMPT P43490 1/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
TDP1 Q9NUW8 1/20 0.65
CYP11B1 P15538 1/20 0.65
CYP11B2 P19099 1/20 0.65
POLB P06746 2/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
SIRT1 Q96EB6 1/20 0.63
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL19501649 0.93 SIRT1 (0.77) PTPN1HDAC2HDAC8HDAC6KMT2A
SCHEMBL197003 0.92 MEN1 (0.73) PTPN1KMT2APTGS2MEN1NPC1
Iodide SCHEMBL30758572 0.90 MEN1 (0.71) PTPN1KMT2APTGS2MEN1NPC1
SCHEMBL611657 0.90 NPC1 (0.76) PTPN1KMT2ANT5EPTGS2MEN1
SCHEMBL9767723 0.90 NPC1 (0.76) PTPN1KMT2ANT5EPTGS2MEN1
SCHEMBL10939703 0.90 NPC1 (0.76) PTPN1KMT2ANT5EPTGS2MEN1
SCHEMBL1315526 0.89 PTPN1 (0.87) PTPN1HDAC2HDAC8HDAC6KMT2A
SCHEMBL19491376 0.88 SIRT1 (0.79) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL14715847 0.87 PTPN1 (0.84) PTPN1HDAC2HDAC8HDAC6KMT2A
SCHEMBL11550249 0.87 MEN1 (0.68) PTPN1KMT2APTGS2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders PÉCSI TUDOMÁNYEGYETEM (HU) 2019-07-09 US claimed
EP-3194399-B1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PECSI TUDOMANYEGYETEM (HU) 2019-04-10 EP claimed
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2017-09-14 US claimed
EP-3194399-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS Pécsi Tudományegyetem (HU) 2017-07-26 EP claimed
WO-2016042349-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2016-03-24 WO claimed
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP claimed
US-5672751-A TREATMENT OF A HALOBENZAMIDE WITH AN ALKANETHIOL IN THE PRESENCE OF A PHASE TRANSFER CATALYST SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-09-30 US claimed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP claimed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP claimed
US-20250073242-A1 SLC26A3 INHIBITORS AND USE THEREOF UNIV CALIFORNIA (US) 2025-03-06 US disclosed
CN-117945822-B Reductive amidation method of triazine ester and nitroaromatic hydrocarbon 南京工业大学 2025-01-10 CN disclosed
CN-117945822-A Reductive amidation method of triazine ester and nitroaromatic hydrocarbon 南京工业大学 2024-04-30 CN disclosed
CN-115057794-B Method for removing methylation of cerium catalytic oxidation amide by visible light induction 桂林理工大学 2023-11-17 CN disclosed
CN-110483582-B Aza-carbene-palladium complex crystal, synthesis method thereof and application thereof in preparing amide compound 陕西师范大学 2023-02-10 CN disclosed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP disclosed
US-5508416-A HALOGENATING A 2-(ALKYLTHIO)BENZAMIDE, CYCLIZATION TO HETERO RING AND N-S LINKAGE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-04-16 US disclosed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP disclosed
US-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 US disclosed
US-4499167-A Photoconductive compositions comprising an organic photoconductor and an amide compound and electro-photographic light-sensitive materials using the compositions FUJI PHOTO FILM CO., LTD. (JP) 1985-02-12 US disclosed
US-3959269-A TRANQUILIZERS, SEDATIVES SANDOZ, INC. (US) 1976-05-25 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-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders TRPV1, P2RX3, P2RX7 PTPN1 2186/4885HDAC2 1149/4885HDAC8 2090/4885
US-20250073242-A1 SLC26A3 INHIBITORS AND USE THEREOF SLC26A3, SLC10A2, ORAI3 PTPN1 4235/4885HDAC2 2874/4885HDAC8 3943/4885
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS TRPV1, P2RX3, P2RX4 PTPN1 2014/4885HDAC2 1221/4885HDAC8 1984/4885

“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.