SCHEMBL12396393

SCHEMBL12396393

Cc1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.59
TSHR P16473 3/20 0.50
GPR35 Q9HC97 4/20 0.46
ALDH1A1 P00352 4/20 0.45
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
S100A4 P26447 2/20 0.41
PTPRC P08575 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HPRT1 P00492 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL29435119 0.89 HKDC1 (0.65) HKDC1TSHRGPR35ALDH1A1KDM4E
SCHEMBL74588 0.89 HKDC1 (0.65) HKDC1TSHRGPR35ALDH1A1KDM4E
SCHEMBL6541857 0.80 HKDC1 (0.56) HKDC1GPR35ALDH1A1KDM4EMAPT
SCHEMBL12520177 0.80 HKDC1 (0.52) HKDC1TSHRGPR35ALDH1A1HSP90AA1
SCHEMBL7522376 0.80 HKDC1 (0.56) HKDC1GPR35ALDH1A1HSP90AA1KDM4E
SCHEMBL3207925 0.79 HKDC1 (0.55) HKDC1GPR35ALDH1A1HSP90AA1KDM4E
SCHEMBL11518981 0.79 S100A4 (0.61) HKDC1TSHRGPR35ALDH1A1HSP90AA1
SCHEMBL6378793 0.79 S100A4 (0.69) HKDC1TSHRALDH1A1MAPTCYP3A4
SCHEMBL12111229 0.79 S100A4 (0.55) HKDC1TSHRGPR35ALDH1A1HSP90AA1
SCHEMBL715432 0.78 HKDC1 (0.53) HKDC1TSHRGPR35ALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779138-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2014-07-15 US disclosed
US-20110184009-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2011-07-28 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 (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-20110184009-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS ERCC2, CHEK1, ERCC4 HKDC1 1914/4885TSHR 2490/4885GPR35 3606/4885

“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.