SCHEMBL5028707

SCHEMBL5028707

CS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
PDE7A Q13946 1/20 0.53
PTGS2 P35354 4/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MLNR O43193 1/20 0.48
MMP1 P03956 1/20 0.48
MPO P05164 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL19950759 0.87 ALDH1A1 (0.65) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10949671 0.84 MEN1 (0.68) ALDH1A1MEN1KMT2AMAPTPDE7A
SCHEMBL21633970 0.83 PTGS2 (0.48) ALDH1A1MEN1KMT2AMAPTPDE7A
SCHEMBL177792 0.80 HSPB1 (0.59) ALDH1A1MEN1KMT2AMAPTPTGS2
SCHEMBL11094289 0.80 EPAS1 (0.51) ALDH1A1MEN1KMT2AMAPTPDE7A
SCHEMBL11296547 0.80 TDP1 (0.73) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5088269 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTPDE7A
SCHEMBL27739212 0.78 MEN1 (0.57) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27705527 0.75 ALDH1A1 (0.51) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15067760 0.75 SMN1; SMN2 (0.66) KMT2APTGS2CYP3A4SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638036-B1 COMPOUND FOR INCREASING KINASE ACTIVE AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2017-08-16 EP disclosed
US-9409900-B2 Compound for increasing kinase active and application thereof FUJIAN HAIXI PHARMACEUTICALS, INC. (CN) 2016-08-09 US disclosed
US-9409900-B2 Compound for increasing kinase active and application thereof FUJIAN HAIXI PHARMACEUTICALS, INC. (CN) 2016-08-09 US disclosed
US-20130225587-A1 COMPOUND FOR INCREASING KINASE ACTIVE AND APPLICATION THEREOF ZHEJIANG BETA PHARMA INCORPORATION (CN) 2013-08-29 US disclosed
US-20130225587-A1 COMPOUND FOR INCREASING KINASE ACTIVE AND APPLICATION THEREOF ZHEJIANG BETA PHARMA INCORPORATION (CN) 2013-08-29 US disclosed
WO-2012062210-A1 COMPOUND FOR INCREASING KINASE ACTIVE AND APPLICATION THEREOF ZHEJIANG BETA PHARMA INC. (CN) 2012-05-18 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 (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-20130225587-A1 COMPOUND FOR INCREASING KINASE ACTIVE AND APPLICATION THEREOF MAP3K7, MAP3K1, MAP3K6 TDP1 3175/4885ALDH1A1 2216/4885MEN1 3681/4885

“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.