Sugi Predict

Sugi Predict / Compounds / SCHEMBL215759

SCHEMBL215759

SCHEMBL215759

O=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.58
▸ HPGD P15428 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ LMNA P02545 4/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ SYK P43405 1/20 0.51
▸ PDE7A Q13946 1/20 0.51
▸ APOBEC3A P31941 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL29780767 1.00 MAPT (0.58) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL30218362 1.00 MAPT (0.58) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL3993993 0.97 MAPT (0.56) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL27096805 0.87 MAPT (0.53) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL4029719 0.85 KMT2A (0.56) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL21835222 0.85 KMT2A (0.51) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL30354912 0.84 ALDH1A1 (0.59) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL6187801 0.84 KMT2A (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21835362 0.84 MAPT (0.52) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL6017266 0.84 ALDH1A1 (0.59) MAPTHPGDSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736154-B Process for preparing N- (3-chloro-4- (2-pyridylmethoxy) phenyl) -2-cyanoacetamide 安庆朗坤药业有限公司 2023-07-21 — — CN claimed
CN-115724790-A Preparation method of N- (3-chloro-4- (2-pyridylmethoxy) aniline 安庆朗坤药业有限公司 2023-03-03 — — CN claimed
CN-114736154-A Preparation method of N- (3-chloro-4- (2-pyridylmethoxy) phenyl) -2-cyanoacetamide 安庆朗坤药业有限公司 2022-07-12 — — CN claimed
CN-110818618-A Synthetic method of pyrroltinib intermediate 2- [ (2-chloro-4-nitrophenoxy) methyl ] pyridine 山东铂源药业有限公司 2020-02-21 — — CN claimed
CN-118341435-A Non-noble metal catalyst and preparation method and application thereof 化学与精细化工广东省实验室 2024-07-16 — — CN disclosed
CN-117720518-A Benzimidazole compound, preparation method thereof, pharmaceutical composition and application 江苏海洋大学 2024-03-19 — — CN disclosed
US-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY INC. (US) 2024-02-22 — — US disclosed
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 — — WO disclosed
CN-114736154-B Process for preparing N- (3-chloro-4- (2-pyridylmethoxy) phenyl) -2-cyanoacetamide 安庆朗坤药业有限公司 2023-07-21 — — CN disclosed
CN-114736154-B Process for preparing N- (3-chloro-4- (2-pyridylmethoxy) phenyl) -2-cyanoacetamide 安庆朗坤药业有限公司 2023-07-21 — — CN disclosed
CN-115724790-A Preparation method of N- (3-chloro-4- (2-pyridylmethoxy) aniline 安庆朗坤药业有限公司 2023-03-03 — — CN disclosed
CN-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 — — CN disclosed
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors WYETH (US) 2005-03-17 — — US disclosed
WO-2005010008-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 — — WO disclosed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 — — WO disclosed
WO-2004046101-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2004-06-03 — — WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 — — EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 — — US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 — — EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 — — WO 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 (2 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-20050059678-A1 Protein tyrosine kinase enzyme inhibitors ABL1, ERBB2, RET MAPT 2203/4885HPGD 4240/4885SMN1; SMN2 4152/4885
US-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES EGFR, ERBB2, ERBB3 MAPT 4295/4885HPGD 2696/4885SMN1; SMN2 4861/4885

“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.