SCHEMBL647822

SCHEMBL647822

O=[N+]([O-])c1cccc2[nH]c[c]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
NOS1 P29475 2/20 0.44
GPR35 Q9HC97 2/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S100A4 P26447 1/20 0.38
HSD17B10 Q99714 2/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
APEX1 P27695 1/20 0.37
NOS3 P29474 1/20 0.37

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
SCHEMBL835945 0.71 TDP1 (0.44) TDP1NOS1GPR35ALDH1A1TSHR
SCHEMBL647458 0.70 NOS1 (0.50) TDP1NOS1GPR35ALDH1A1TSHR
SCHEMBL6030727 0.69 TDP1 (0.48) TDP1NOS1GPR35ALDH1A1TSHR
SCHEMBL6007713 0.67 TDP1 (0.52) TDP1NOS1GPR35ALDH1A1TSHR
SCHEMBL1966793 0.67 FFAR1 (0.41)
SCHEMBL321694 0.67 GPR84 (0.41) NOS1TSHRCYP1A2GAA
SCHEMBL28549 0.67 ALDH1A1 (0.64) TDP1NOS1GPR35ALDH1A1TSHR
SCHEMBL29471420 0.67 ALDH1A1 (0.64) TDP1NOS1GPR35ALDH1A1TSHR
SCHEMBL643696 0.67 ALDH1A1 (0.50) TDP1NOS1GPR35ALDH1A1TSHR
SCHEMBL647821 0.66 TDP1 (0.55) TDP1NOS1GPR35ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323816-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2019-07-03 EP claimed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP claimed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US claimed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US claimed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US claimed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP claimed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US claimed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP claimed
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN claimed
CN-117402829-A Dual control for therapeutic cell activation or elimination 贝里坤制药股份有限公司 2024-01-16 CN disclosed
WO-2022258057-A1 COMPOUNDS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-12-15 WO disclosed
US-11208662-B2 RNAi inhibition of alpha-ENaC expression Arrowhead Pharmaceuticals, Inc. (US) 2021-12-28 US disclosed
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US disclosed
WO-2006112872-A2 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
WO-2006093526-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-16 US disclosed
US-6074638-A APPLYING A SUPPRESSIVE DOSAGE STRAIN OF STREPTOMYCES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-06-13 US disclosed
WO-1994027443-A1 COMPOSITION AND METHOD FOR INHIBITING PLANT DISEASE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-12-08 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 (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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 TDP1 1738/4885NOS1 304/4885GPR35 4160/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 TDP1 561/4885NOS1 1380/4885GPR35 691/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT TDP1 1435/4885NOS1 3901/4885GPR35 697/4885
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase NT5C3B, DERA, DUT TDP1 672/4885NOS1 2040/4885GPR35 1559/4885

“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.