SCHEMBL3622950

SCHEMBL3622950

Nc1nc(N)nc(N)n1.OCC(CO)(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
RAB9A P51151 2/20 0.33
NUDT1 P36639 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSP90AA1 P07900 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Phosphonic Acid SCHEMBL30354172 0.87 CYP1A2 (0.37) CASP1CYP1A2LMNA
Phosphonic Acid SCHEMBL30776129 0.87 CYP1A2 (0.37) CASP1CYP1A2LMNA
SCHEMBL10800782 0.79 CASP1 (0.47) CASP1CYP1A2LMNAPOLBADORA3
Tromethamine SCHEMBL8587575 0.79 LMNA (0.59) CASP1CYP1A2LMNAPOLBNUDT1
Tromethamine SCHEMBL11375167 0.77 LMNA (0.56) CASP1CYP1A2LMNANUDT1MEN1
SCHEMBL7190354 0.77 NUDT1 (0.47) CASP1CYP1A2LMNANPC1RAB9A
Ethylene Glycol SCHEMBL8570947 0.76 CASP1 (0.45) CASP1CYP1A2LMNAPOLBADORA3
SCHEMBL28235429 0.76 CASP1 (0.45) CASP1CYP1A2LMNAPOLBADORA3
Alcohol SCHEMBL8078657 0.73 LMNA (0.46) CASP1CYP1A2LMNAPOLBADORA3
SCHEMBL27842493 0.73 CASP1 (0.43) CASP1CYP1A2LMNAPOLBADORA3

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117246985-A Production process of high-safety lithium iron phosphate positive electrode material 江苏乐能电池股份有限公司 2023-12-19 CN claimed
CN-115472785-A Production process of high-safety lithium iron phosphate cathode material 江苏乐能电池股份有限公司 2022-12-13 CN claimed
EP-3179540-B1 LITHIUM ION BATTERY COMPOSITE POLE PIECE AND PREPARATION METHOD THEREFOR, AND LITHIUM ION BATTERY CHINA AVIATION LITHIUM BATTERY CO LTD (CN) 2019-11-20 EP claimed
EP-1580320-B1 Compositions for porous materials NAVARRINI WALTER (IT) 2009-05-27 EP claimed
CN-117246985-A Production process of high-safety lithium iron phosphate positive electrode material 江苏乐能电池股份有限公司 2023-12-19 CN disclosed
US-20230136124-A1 Core-Shell Microcapsule with a Polyamine-Based Thermosetting Shell GIVAUDAN SA (CH) 2023-05-04 US disclosed
US-11566208-B2 Core-shell microcapsule with a polyamine-based thermosetting shell GIVAUDAN SA (CH) 2023-01-31 US disclosed
CN-115472785-A Production process of high-safety lithium iron phosphate cathode material 江苏乐能电池股份有限公司 2022-12-13 CN disclosed
US-11504689-B2 Encapsulated perfume compositions and methods of preparing them GIVAUDAN SA (CH) 2022-11-22 US disclosed
CN-112980262-B Water-based intumescent fire retardant coating for indoor steel structure and preparation method thereof 西北永新涂料有限公司 2022-09-16 CN disclosed
CN-112898850-B Modified intumescent steel structure fireproof coating for outdoor steel structure and preparation method thereof 西北永新涂料有限公司 2022-09-16 CN disclosed
CN-111527191-B Encapsulated perfume compositions and methods of making same 奇华顿股份有限公司 2021-12-31 CN disclosed
CN-112980262-A Water-based intumescent fire retardant coating for indoor steel structure and preparation method thereof 西北永新涂料有限公司 2021-06-18 CN disclosed
CN-112898850-A Modified intumescent steel structure fireproof coating for outdoor steel structure and preparation method thereof 西北永新涂料有限公司 2021-06-04 CN disclosed
EP-3728544-A1 ENCAPSULATED PERFUME COMPOSITION AND METHODS OF PREPARING THEM Givaudan SA (CH) 2020-10-28 EP disclosed
US-20200308513-A1 Core-Shell Microcapsule with a Polyamine-Based Thermosetting Shell GIVAUDAN S.A. (CH) 2020-10-01 US disclosed
US-20200290005-A1 Encapsulated Perfume Compositions and Methods of Preparing Them GIVAUDAN S.A. (CH) 2020-09-17 US disclosed
CN-111527191-A Encapsulated perfume compositions and methods of making same 奇华顿股份有限公司 2020-08-11 CN disclosed
US-20100108367-A1 CURABLE RESIN COMPOSITION, COMPOSITE BODY, MOLDED BODY, LAMINATED BODY AND MULTILAYERED CIRCUIT BOARD ZEON CORPORATION (JP) 2010-05-06 US disclosed
WO-1991007473-A1 SEALANT AIRSEAL PTY LIMITED (AU) 1991-05-30 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 (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-11566208-B2 Core-shell microcapsule with a polyamine-based thermosetting shell SRM, SMS, PNMT CASP1 2224/4885CYP1A2 4500/4885LMNA 3602/4885
US-20230136124-A1 Core-Shell Microcapsule with a Polyamine-Based Thermosetting Shell SRM, SMS, PNMT CASP1 2224/4885CYP1A2 4500/4885LMNA 3602/4885
US-20200308513-A1 Core-Shell Microcapsule with a Polyamine-Based Thermosetting Shell SRM, SMS, PNMT CASP1 2224/4885CYP1A2 4500/4885LMNA 3602/4885

“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.