SCHEMBL17856902

SCHEMBL17856902

CC(=O)C1CSC(c2nc3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3s2)=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.40
ALPL P05186 2/20 0.38
ALPI P09923 1/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.36
AMY1A P0DUB6 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 2/20 0.35
SCD O00767 1/20 0.35
F2 P00734 2/20 0.35
PTPN1 P18031 1/20 0.35
DYRK1A Q13627 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL140402 0.93 GPR35 (0.54) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL17861115 0.93 GPR35 (0.54) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL17856887 0.90 GPR35 (0.43) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL17856889 0.90 GPR35 (0.43) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL17856888 0.90 GPR35 (0.43) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL17856890 0.88 GPR35 (0.42) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL17856895 0.88 GPR35 (0.41) GPR35MEN1KMT2ARAB9AMAPT
SCHEMBL17856893 0.86 GPR35 (0.47) GPR35MEN1KMT2ARAB9AALDH1A1
SCHEMBL17856909 0.86 GPR35 (0.44) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL17856898 0.86 GPR35 (0.44) GPR35MEN1KMT2ARAB9AALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 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-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD GPR35 3035/4885MEN1 286/4885KMT2A 4442/4885

“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.