SCHEMBL4526375

SCHEMBL4526375

COc1cccc2c1C=CCN2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA4 P22748 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 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
SCHEMBL22295297 0.72 ALDH1A1 (0.35) CA1CA2CA12CA14CA4
SCHEMBL19484760 0.71 HTR5A (0.41) CA1CA2CA7CA9CA12
SCHEMBL8470060 0.71 GABRA1 (0.36) KDM4ELMNACYP3A4MAPK1
SCHEMBL7333093 0.68 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL30584471 0.68 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL19582521 0.68 CA1 (0.37) CA1CA2CA7CA9CA12
SCHEMBL5143534 0.67 BRD4 (0.36) CA1CA2CA7CA9CA12
SCHEMBL19457051 0.67 ADRB2 (0.54) CA1CA2CA7CA9CA12
SCHEMBL16758686 0.66 CA2 (0.37) CA1CA2CA7CA9CA12
SCHEMBL8729417 0.66 ACHE (0.45) ACHEBCHE

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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CA1 88/4885CA2 198/4885CA7 36/4885

“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.