SCHEMBL5142127

SCHEMBL5142127

O=c1c2ccccc2[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
PARP1 P09874 1/20 0.50
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45

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
SCHEMBL3433685 0.88 TDP1 (0.53) CTSVCTSLALDH1A1KDM4ELMNA
SCHEMBL6007713 0.82 TDP1 (0.52) ALDH1A1GAASMN1; SMN2PARP1KMT2A
SCHEMBL7491879 0.81 PARP1 (0.62) CTSVCTSLALDH1A1KDM4ELMNA
SCHEMBL11568200 0.81 GRIN2D (0.56) CTSVCTSLALDH1A1KDM4ELMNA
SCHEMBL25800756 0.79 KMT2A (0.55) CTSVCTSLALDH1A1GAAPARP1
SCHEMBL1799350 0.77 TYMS (0.47) ALDH1A1KDM4ELMNAHPGDPARP1
SCHEMBL29478497 0.77 MAPT (0.57) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL28907048 0.77 MAPT (0.57) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL10345038 0.77 ALDH1A1 (0.74) CTSVCTSLALDH1A1KDM4ELMNA
SCHEMBL7220724 0.75 SIRT2 (0.46) CTSVCTSLALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN claimed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN disclosed
WO-2008016661-A2 MORPHOLINO COMPOUNDS FOR TREATING INFLAMMATORY AND DEMYELINATING DISEASES AND CANCERS XANTHUS PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
EP-0977738-B1 CYCLIN DEPENDENT KINASE (CDK)4 INHIBITORS AND THEIR USE FOR TREATING CANCER US HEALTH (US) 2005-11-16 EP disclosed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN disclosed
US-20040006074-A1 Cyclin dependent kinase (CDK)4 inhibitors and their use for treating cancer THE GOVERNMENT OF THE UNITED STATES OF AMERICA 2004-01-08 US disclosed
US-6630464-B1 Cyclin dependent kinase (CDK)4 inhibitors and their use for treating cancer THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-10-07 US disclosed
EP-0977738-A2 CYCLIN DEPENDENT KINASE (CDK)4 INHIBITORS AND THEIR USE FOR TREATING CANCER THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-02-09 EP disclosed
WO-1998049146-A2 CYCLIN DEPENDENT KINASE (CDK)4 INHIBITORS AND THEIR USE FOR TREATING CANCER THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH & HUMAN SERVICES, THE NATIONAL INSTITUTES OF HEALTH (US) 1998-11-05 WO disclosed
EP-0111205-B1 ACRIDANONE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-04-01 EP disclosed
US-4544659-A PARASITICIDES HOFFMAN-LA ROCHE INC. (US) 1985-10-01 US disclosed
EP-0111205-A1 Acridanone derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-20 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-20040006074-A1 Cyclin dependent kinase (CDK)4 inhibitors and their use for treating cancer CDK4, CCNI, CDK2 CTSV 2995/4885CTSL 2385/4885ALDH1A1 1269/4885

“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.