SCHEMBL509603

SCHEMBL509603

CCNN1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
SNCA P37840 1/20 0.36
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1A P08908 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
GAA P10253 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL2357618 0.88
Hydrochloric Acid SCHEMBL11556182 0.85
SCHEMBL22416505 0.84
SCHEMBL3182945 0.79 SNCA (0.41) CA12CA2CA9CA1SNCA
SCHEMBL906315 0.77
SCHEMBL6284240 0.77
SCHEMBL19630043 0.76 CA12 (0.37) CA12CA2CA9CA1SNCA
SCHEMBL8694711 0.75 GNAI3 (0.50) CA12CA2CA9CA1SNCA
SCHEMBL1477624 0.74
SCHEMBL476457 0.74 GNAI3 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425938-A Flame-retardant polyurethane soft foam with excellent mechanical properties and preparation method thereof 江苏米尔化工科技有限公司 2023-07-14 CN claimed
CN-116285775-A High-performance chloroprene rubber adhesive and preparation method thereof 上谷新材料(苏州)有限公司 2023-06-23 CN claimed
CN-116102700-A Softening agent and preparation method thereof 江苏奥斯佳材料科技股份有限公司 2023-05-12 CN claimed
CN-116041665-A Preparation method of isocyanate curing agent with high trimer content 南京工业大学 2023-05-02 CN claimed
CN-116023614-A High-fluidity flame-retardant polyurethane soft foam composition 江苏米尔化工科技有限公司 2023-04-28 CN claimed
CN-112961303-B Softening agent for soft polyurethane foam and application thereof 江苏奥斯佳材料科技股份有限公司 2023-01-03 CN claimed
CN-112961303-A Softening agent for soft polyurethane foam and application thereof 江苏奥斯佳材料科技股份有限公司 2021-06-15 CN claimed
CN-112940212-A Polyurethane catalyst, automotive polyurethane material and preparation method thereof 江苏奥斯佳材料科技股份有限公司 2021-06-11 CN claimed
CN-116425938-A Flame-retardant polyurethane soft foam with excellent mechanical properties and preparation method thereof 江苏米尔化工科技有限公司 2023-07-14 CN disclosed
CN-116285775-A High-performance chloroprene rubber adhesive and preparation method thereof 上谷新材料(苏州)有限公司 2023-06-23 CN disclosed
CN-116041665-A Preparation method of isocyanate curing agent with high trimer content 南京工业大学 2023-05-02 CN disclosed
CN-116023614-A High-fluidity flame-retardant polyurethane soft foam composition 江苏米尔化工科技有限公司 2023-04-28 CN disclosed
CN-112251820-B VEGFR-2 inhibitor screening method, VEGFR-2 inhibitor and antitumor drug 绍兴文理学院 2023-02-17 CN disclosed
CN-112961303-B Softening agent for soft polyurethane foam and application thereof 江苏奥斯佳材料科技股份有限公司 2023-01-03 CN disclosed
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-10-22 US disclosed
US-7563787-B2 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2009-07-21 US disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 US disclosed
US-4353826-A ANTITUBERCULAR ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1982-10-12 US disclosed
US-4261891-A BACTERICIDES, ANTITUBERCULAR AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed
US-4003915-A ANTICONVULSANTS, PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US 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-20070142368-A1 Substituted pyrazole compounds AURKC, AURKA, AURKB CA12 3967/4885CA2 2719/4885CA9 3471/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB CA12 2932/4885CA2 1677/4885CA9 2833/4885

“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.