SCHEMBL13680770

SCHEMBL13680770

CC(N)c1noc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
MAOB P27338 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
HIF1A Q16665 2/20 0.38
SORD Q00796 1/20 0.37

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
SCHEMBL85415 0.84 CA12 (0.41) CA12CA1CA2LMNACA3
SCHEMBL20992668 0.81 CA12 (0.39) CA12CA1CA2LMNACA3
SCHEMBL28970337 0.81 CA12 (0.39) CA12CA1CA2LMNACA3
SCHEMBL8663680 0.81 ESR1 (0.42) CA12CA1CA2LMNACA3
SCHEMBL8664394 0.81 SORD (0.43) CA12CA1CA2LMNACA3
SCHEMBL24796169 0.81 SORD (0.43) CA12CA1CA2LMNACA3
SCHEMBL17150578 0.81 CA12 (0.39) CA12CA1CA2LMNACA3
SCHEMBL24795805 0.79 CA2 (0.49) CA12CA1CA2LMNACA3
SCHEMBL25297254 0.79 CA2 (0.49) CA12CA1CA2LMNACA3
SCHEMBL24191044 0.79 CA2 (0.49) CA12CA1CA2LMNACA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165237-A1 FIVE MEMBERED-AMINOHETEROCYCLE AND 5,6-or 6,6-MEMBERED BICYCLIC AMINOHETEROCYCLIC INHIBITORS OF ROCK FOR THE TREATMENT OF HEART FAILURE BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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-20200165237-A1 FIVE MEMBERED-AMINOHETEROCYCLE AND 5,6-or 6,6-MEMBERED BICYCLIC AMINOHETEROCYCLIC INHIBITORS OF ROCK FOR THE TREATMENT OF HEART FAILURE MYLK, MYLK2, ROCK1 CA12 1434/4885CA1 655/4885CA2 86/4885

“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.