SCHEMBL2420458

SCHEMBL2420458

Cc1ccc(C(=O)ON(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 8/20 0.50
LMNA P02545 2/20 0.50
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
NLRP1 Q9C000 1/20 0.45
MEN1 O00255 1/20 0.45
NTSR1 P30989 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL4854177 0.91 CA1 (0.44) TDP1ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL2648403 0.83 CA12 (0.59) TDP1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL22115709 0.83 TSHR (0.52) TDP1ALDH1A1CES2CES1SMN1; SMN2
SCHEMBL28620726 0.82 CA1 (0.63) TDP1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL15090414 0.81 CA1 (0.38) TDP1ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL229327 0.80 TSHR (0.58) TDP1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL2419117 0.79 ALDH1A1 (0.55) TDP1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL14354319 0.79 TDP1 (0.55) TDP1ALDH1A1LMNACES2CES1
SCHEMBL8778149 0.79 TDP1 (0.55) TDP1ALDH1A1LMNACES2CES1
SCHEMBL27469371 0.78 TSHR (0.56) TDP1ALDH1A1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108978226-A A kind of preparation of polyurethane-modified polyacrylate class water repellent and application method 江南大学 2018-12-11 CN claimed
US-20090018234-A1 DENTAL CEMENT GC CORPORATION (JP) 2009-01-15 US claimed
WO-2021106683-A1 PHOTOSENSITIVE INK COMPOSITION, CURED PRODUCT, DISPLAY PANEL, AND METHOD FOR PRODUCING CURED PRODUCT 東京応化工業株式会社 2021-06-03 WO disclosed
CN-109641395-A The manufacturing method of ink-jet 3D printer photo-curable backing material composition, ink-jet 3D printer ink, ink-jet 3D printer print cartridge, the manufacturing method of backing material and light chisel object 株式会社日本触媒 2019-04-16 CN disclosed
CN-108978226-A A kind of preparation of polyurethane-modified polyacrylate class water repellent and application method 江南大学 2018-12-11 CN disclosed
CN-107057252-A A kind of sunglasses eyeglass and preparation method thereof 浙江工贸职业技术学院 2017-08-18 CN disclosed
EP-2600874-B1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2015-03-04 EP disclosed
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 US disclosed
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 US disclosed
EP-2011468-B1 Dental Cement G C DENTAL IND CORP (JP) 2011-09-21 EP disclosed
US-20090018234-A1 DENTAL CEMENT GC CORPORATION (JP) 2009-01-15 US disclosed
EP-2011468-A1 Dental Cement GC Corporation (JP) 2009-01-07 EP 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 (1 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-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE DCK, DTYMK, TYMS TDP1 333/4885ALDH1A1 725/4885LMNA 2820/4885

“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.