SCHEMBL76146

SCHEMBL76146

O=[N+]([O-])c1c[c]cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.55
VCAM1 P19320 2/20 0.52
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.44
CES1 P23141 2/20 0.42
CES2 O00748 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.40
XDH P47989 1/20 0.39

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
SCHEMBL9627250 0.85 ALDH1A1 (0.54) CYP19A1TSHRLMNAVCAM1ALDH1A1
SCHEMBL6647785 0.83 CYP19A1 (0.41) CYP19A1TSHRLMNAVCAM1ALDH1A1
SCHEMBL16952363 0.83 ALDH1A1 (0.52) CYP19A1TSHRLMNAVCAM1SMN1; SMN2
SCHEMBL4157259 0.83 LMNA (0.43) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL11238325 0.83 ALDH1A1 (0.52) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL5771776 0.83 CYP19A1 (0.41) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL458226 0.83 TSHR (0.60) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL212845 0.81 CYP19A1 (0.81) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL5581668 0.80
SCHEMBL11487052 0.79 VCAM1 (0.67) CYP19A1TSHRLMNAVCAM1ALDH1A1

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 1626 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
US-20240189360-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS PHARMA INC. (US) 2024-06-13 US claimed
CN-117618444-A Pharmaceutical composition, acid-base addition salt or conjugate and application thereof 深圳君圣泰生物技术有限公司 2024-03-01 CN claimed
CN-117430628-A Quaternary vanadium complex, preparation method and application thereof 首都师范大学 2024-01-23 CN claimed
CN-117304131-A Alpha-carbonyl alkenyl ester compound, and preparation method and application thereof 广州医科大学 2023-12-29 CN claimed
CN-114524743-B Simple preparation method of methylenebisamide 北京工商大学 2023-11-21 CN claimed
CN-117069679-A N- (substituted phenyl) thiazole phenoxyacetamide compound and preparation method and application thereof 湖南省农业生物技术研究所 2023-11-17 CN claimed
US-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGXI NORMAL UNIVERSITY (CN) 2023-08-03 US claimed
CN-113292430-B Alpha-carbonyl alkenyl ester compound and preparation method and application thereof 江西师范大学 2022-11-29 CN claimed
US-11499033-B2 Functionalized graphene and epoxy composite SAUDI ARABIAN OIL COMPANY (SA) 2022-11-15 US claimed
US-4512898-A ORGANOSILANE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-04-23 US claimed
US-4499165-A COMPATABILITY; STABILITY; LASERS; DATA PROCESSING EASTMAN KODAK COMPANY (US) 1985-02-12 US claimed
EP-0118881-A2 Binder-mixtures for optical recording layers and elements EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1984-09-19 EP claimed
EP-0105745-A2 Packing materials for chromatographic use and their employment in analysing enantiomeric mixtures SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP claimed
US-4200750-A ANTIINFLAMMATORY AGENTS, FUNGICIDES, ANTIBODY INHIBITORS WESTWOOD PHARMACEUTICALS INC. (US) 1980-04-29 US claimed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US claimed
US-4107432-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-08-15 US claimed
US-4058661-A 7-Diacyl cephalosporins MERCK & CO., INC. (US) 1977-11-15 US claimed
US-4053286-A ACYLATION MERCK & CO., INC. (US) 1977-10-11 US claimed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 US claimed

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-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ACSL1, ACSL4, WEE1 CYP19A1 157/4885TSHR 3531/4885LMNA 931/4885
US-20240189360-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS CXCL12, ITGB3, ITGB7 CYP19A1 4443/4885TSHR 2351/4885LMNA 3389/4885

“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.