SCHEMBL2589998

SCHEMBL2589998

O=[N+]([O-])c1ccc(N2CCOCC2)cc1F

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.69
PKM P14618 1/20 0.69
ALDH1A1 P00352 10/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPK1 P28482 3/20 0.57
NPC1 O15118 1/20 0.57
CYP2C9 P11712 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
RAC1 P63000 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 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
SCHEMBL4140342 0.89 MAPT (0.67) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL18036523 0.86 MAPT (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL30416098 0.84 HPGD (0.68) MAPTALDH1A1SMN1; SMN2NPSR1MAPK1
SCHEMBL1911905 0.82 MAPT (1.00) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL22652006 0.82 MAPT (0.69) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL24267633 0.82 SIRT6 (0.69) MAPTALDH1A1SMN1; SMN2MAPK1CYP2C9
SCHEMBL2445796 0.82 LMNA (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL5058321 0.82 MAPT (0.69) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL23538613 0.82 ALDH1A1 (0.54) MAPTPKMALDH1A1CYP2C9KMT2A
SCHEMBL443596 0.82 HPGD (0.73) MAPTPKMALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053557-A1 PROCESSES FOR PREPARING LINEZOLID INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-02-28 US claimed
CN-118341435-B Non-noble metal catalyst and preparation method and application thereof 化学与精细化工广东省实验室 2024-09-10 CN disclosed
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-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 CN disclosed
EP-3640247-B1 SYK INHIBITOR AND USE METHOD THEREFOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 US disclosed
US-11091460-B2 Syk inhibitor and use method therefor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-08-17 US disclosed
CN-110678461-B Syk inhibitors and methods of use thereof 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
US-11059814-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 CN disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 WO disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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 (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-11091460-B2 Syk inhibitor and use method therefor SYK, BTK, LCK MAPT 4018/4885PKM 2645/4885ALDH1A1 3600/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 MAPT 2032/4885PKM 841/4885ALDH1A1 2414/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 MAPT 4607/4885PKM 3136/4885ALDH1A1 2218/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 MAPT 2585/4885PKM 652/4885ALDH1A1 1328/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI MAPT 4566/4885PKM 3257/4885ALDH1A1 1803/4885
US-20130053557-A1 PROCESSES FOR PREPARING LINEZOLID CYP2C9, CYP2C19, CYP3A43 MAPT 3182/4885PKM 147/4885ALDH1A1 703/4885

“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.