SCHEMBL20008083

SCHEMBL20008083

N#Cc1ccc(C(=N)S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GSK3B P49841 2/20 0.45
MMP3 P08254 1/20 0.43
ENPP2 Q13822 1/20 0.43
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 2/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TSHR P16473 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
MAPT P10636 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL6277579 0.80 CA2 (0.54) CA2CA1CA12CA3CA6
SCHEMBL3760734 0.78 CA2 (0.52) CA2CA1CA12CA3CA6
SCHEMBL15902206 0.76 LMNA (0.52) CA2CA1CA12CA3CA6
SCHEMBL20000003 0.76 CA2 (0.50) CA2CA1CA12CA3CA6
SCHEMBL9585488 0.76 CA2 (0.61) CA2CA1CA12CA3CA6
SCHEMBL2369004 0.76 CA2 (0.50) CA2CA1CA12CA3CA6
Hydrochloric Acid SCHEMBL5860266 0.74 PRSS1 (0.54) CA2CA1IDO1PARP15PARP10
SCHEMBL8002423 0.74 GSK3B (0.44) CA2CA1CA12CA3CA6
SCHEMBL21783612 0.74 CA2 (0.58) CA2CA1CA12CA3CA6
SCHEMBL4078022 0.74 CA2 (0.58) CA2CA1CA12CA3CA6

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-10710065-B2 Polymeric materials for electrochemical cells and ion separation processes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-14 US disclosed
US-20180085744-A1 POLYMERIC MATERIALS FOR ELECTROCHEMICAL CELLS AND ION SEPARATION PROCESSES UNITED STATES DEPARTMENT OF ENERGY 2018-03-29 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 (2 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-20180085744-A1 POLYMERIC MATERIALS FOR ELECTROCHEMICAL CELLS AND ION SEPARATION PROCESSES ALG1, MLEC, MSN CA2 163/4885CA1 446/4885CA12 638/4885
US-10710065-B2 Polymeric materials for electrochemical cells and ion separation processes ALG1, MLEC, MSN CA2 163/4885CA1 446/4885CA12 638/4885

“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.