SCHEMBL530075

SCHEMBL530075

NC(=O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
LOXL2 Q9Y4K0 1/20 0.55
IDO1 P14902 4/20 0.53
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL2850348 0.91 TSHR (0.59) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL6821944 0.89 TSHR (0.58) TSHRLOXL2IDO1KCNJ1KCNH2
Nitrobenzene SCHEMBL29050944 0.88 ALDH1A1 (0.56) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL30122708 0.87 MAPT (0.65) ALDH1A1MAPTKMT2AMEN1
SCHEMBL7999122 0.85 TSHR (0.66) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL4833242 0.84 TSHR (0.59) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL350869 0.83 TSHR (0.63) TSHRLOXL2KCNJ1KCNH2ALDH1A1
SCHEMBL1302992 0.81 TSHR (0.61) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL7733616 0.81 TSHR (0.61) TSHRLOXL2IDO1KCNJ1KCNH2
SCHEMBL15074911 0.81 TSHR (0.61) TSHRLOXL2KCNJ1KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN claimed
CN-114539158-A FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2022-05-27 CN claimed
CN-1353609-B Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO 2011-07-13 CN claimed
CN-1353609-A Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-12 CN claimed
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11678968-B2 Urological device including a valve retained in a urinary catheter COLOPLAST A/S (DK) 2023-06-20 US disclosed
CN-115697415-A Techniques for preventing or treating infections 拜尔哈文制药股份有限公司 2023-02-03 CN disclosed
US-20220340983-A1 SYSTEMS AND ASSAYS FOR IDENTIFYING PU.1 INHIBITORS MASSACHUSTTS INSTITUTE OF TECHNOLOGY (US) 2022-10-27 US disclosed
US-5861535-A Reductive alkylation process to prepare tertiary aminoaryl compounds EASTMAN KODAK COMPANY (US) 1999-01-19 US disclosed
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
EP-0542867-A4 METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS 1993-07-28 EP disclosed
EP-0542867-A1 METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS GENSIA, INC. (US) 1993-05-26 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
CN-1011784-B Process for preparing antiallergic and antimuscotromospasm agents N-benzhydryldiazacycloalkylalkyl anilides RECKORDATY CHEMICALS CORP (CH) 1991-02-27 CN disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed
CN-86105641-A The method for preparing antianaphylaxis and antibronchospasm of N-dibenzyl-diazacyclo alkyl-alkyl-anilide 1987-04-01 CN 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 (4 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-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 TSHR 541/4885LOXL2 159/4885IDO1 191/4885
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 TSHR 873/4885LOXL2 1041/4885IDO1 3303/4885
US-20220340983-A1 SYSTEMS AND ASSAYS FOR IDENTIFYING PU.1 INHIBITORS PMP22, MAG, CREBBP TSHR 4526/4885LOXL2 3228/4885IDO1 1485/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 TSHR 581/4885LOXL2 194/4885IDO1 1185/4885

“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.