SCHEMBL3835609

SCHEMBL3835609

N#Cc1ccc(=O)[nH]c1S

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.59
KDM4E B2RXH2 5/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.37
TRPV4 Q9HBA0 2/20 0.36
MCL1 Q07820 1/20 0.36
DPYD Q12882 1/20 0.36
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MDM2 Q00987 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GAA P10253 2/20 0.32
GALR3 O60755 1/20 0.32
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL584505 0.74 UPP1 (0.59) UPP1KDM4ERECQLTDP1ALDH1A1
SCHEMBL6516876 0.72 UPP1 (0.57) UPP1KDM4EALDH1A1MCL1DPYD
SCHEMBL3812728 0.69 UPP1 (0.53) UPP1KDM4EALDH1A1MCL1DPYD
SCHEMBL24218091 0.67 GRIN2D (0.41) UPP1KDM4ERECQLTDP1ALDH1A1
SCHEMBL30903890 0.66 UPP1 (0.49) UPP1KDM4EALDH1A1TRPV4MCL1
SCHEMBL31575258 0.66 UPP1 (0.49) UPP1KDM4EALDH1A1MCL1DPYD
SCHEMBL194923 0.65
SCHEMBL1006471 0.64 CA12 (0.55) UPP1KDM4EALDH1A1MCL1CRHBP
Hydrochloric Acid SCHEMBL30903877 0.63 CA12 (0.53) UPP1KDM4EALDH1A1MCL1CRHBP
SCHEMBL2741330 0.62

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-7592455-B2 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA S.A. (BE) 2009-09-22 US disclosed
US-20060025428-A1 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA S.A. (BE) 2006-02-02 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-20060025428-A1 Bicyclic heteroaromatic compounds as kinase inhibitors MAP2K2, MAP2K7, MAP2K6 UPP1 1303/4885KDM4E 2548/4885RECQL 2948/4885

“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.