SCHEMBL318595

SCHEMBL318595

O=c1[nH]c2ccc(Cl)cc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.75
GRIN3B O60391 1/20 0.75
GRIN1 Q05586 1/20 0.75
GRIN2A Q12879 1/20 0.75
GRIN2B Q13224 1/20 0.75
GRIN2C Q14957 1/20 0.75
GRIN3A Q8TCU5 1/20 0.75
ALDH1A1 P00352 2/20 0.61
TSHR P16473 2/20 0.61
POLB P06746 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
PSMB8 P28062 1/20 0.61
HAVCR2 Q8TDQ0 1/20 0.61
HSD17B10 Q99714 1/20 0.61
APOBEC3G Q9HC16 1/20 0.61
GRIA1 P42261 2/20 0.53
CACNG8 Q8WXS5 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL30456647 1.00 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31495016 0.86 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL438374 0.86 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31268743 0.83 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872530 0.82 GRIN2D (0.83) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Tert-Butyl Formate SCHEMBL28782895 0.81 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Ethoxycarbonyl Group SCHEMBL27776820 0.80 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18190511 0.80 GRIA1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL404118 0.79 PARP1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30013261 0.79 PARP1 (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016099-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF TRINUERO (KR) 2022-01-20 US claimed
WO-2020116742-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF 주식회사 트리뉴로 2020-06-11 WO claimed
US-8183409-B2 High yield and rapid synthesis methods for producing metallo-organic salts OSTEOLOGIX A/S (DK) 2012-05-22 US claimed
US-20090291926-A1 HIGH YIELD AND RAPID SYNTHESIS METHODS FOR PRODUCING METALLO-ORGANIC SALTS CHRISTGAU STEPHAN 2009-11-26 US claimed
US-20070282127-A1 High Yield And Rapid Synthesis Methods For Producing Metallo-Organic Salts OSTEOLOGIX A/S 2007-12-06 US claimed
EP-1758652-A2 IMPROVING PAIN TREATMENT WITH STRONTIUM COMBINATIONS Osteologix A/S (DK) 2007-03-07 EP claimed
EP-1744770-A2 HIGH YIELD AND RAPID SYNTHESES METHODS FOR PRODUCING METALLO-ORGANIC SALTS Osteologix A/S (DK) 2007-01-24 EP claimed
WO-2005123192-A2 IMPROVING PAIN TREATMENT WITH STRONTIUM COMBINATIONS OSTEOLOGIX A/S (DK) 2005-12-29 WO claimed
WO-2005108339-A2 HIGH YIELD AND RAPID SYNTHESES METHODS FOR PRODUCING METALLO-ORGANIC SALTS OSTEOLOGIX A/S (DK) 2005-11-17 WO claimed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed
CN-115246795-B Isoxazoline compound containing ether structure at 4-phenyl para-position, preparation method thereof and application thereof as insecticidal and bactericidal agent 瑞普(天津)生物药业有限公司 2024-01-02 CN disclosed
US-11655222-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-05-23 US disclosed
US-20230025351-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-01-26 US disclosed
CN-115246795-A Isoxazoline compound with 4-phenyl para-position containing ether structure, preparation thereof and application thereof as insecticide and bactericide 瑞普(天津)生物药业有限公司 2022-10-28 CN disclosed
CN-113575590-B Cultivation method for promoting gingko to bloom and bear fruits 四川云辰园林科技有限公司 2022-08-23 CN disclosed
EP-0731380-A1 Method for forming an image and silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1996-09-11 EP disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed
US-5003079-A Phosgene, O-Phenylenediamine, Basic Catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
US-4367337-A Process for conversion of benzimidazolones to benzotriazoles THE SHERWIN-WILLIAMS COMPANY (US) 1983-01-04 US disclosed
US-3943109-A CURING CIBA-GEIGY CORPORATION (US) 1976-03-09 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-20230025351-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 GRIN2D 3407/4885GRIN3B 2847/4885GRIN1 808/4885
US-11655222-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 GRIN2D 3407/4885GRIN3B 2847/4885GRIN1 808/4885
US-20220016099-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF KEAP1, SLC5A1, GCLC GRIN2D 761/4885GRIN3B 532/4885GRIN1 115/4885

“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.