SCHEMBL29991998

SCHEMBL29991998

O=[N+]([O-])C1COc2cc(Cl)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
P2RY6 Q15077 1/20 0.35
MAOB P27338 2/20 0.34
MAPK1 P28482 4/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TTR P02766 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31561635 0.88 ROCK2 (0.38) CA2CA1P2RY6MAOBMAPK1
SCHEMBL31561634 0.88 ROCK2 (0.38) CA2CA1P2RY6MAOBMAPK1
SCHEMBL8557409 0.78 NISCH (0.40) MAOBMEN1KMT2A
SCHEMBL28056978 0.76 ESR1 (0.40) MAOBALDH1A1ESR1ESR2TTR
SCHEMBL13963767 0.75 MAPT (0.39) MAPK1LMNAPOLBALDH1A1L3MBTL1
SCHEMBL7204257 0.75 MTNR1A (0.48) MAPK1LMNAALDH1A1MEN1MAPT
SCHEMBL3984874 0.73 MALT1 (0.38) CA2P2RY6LMNACYP19A1MAPT
SCHEMBL31561633 0.73 ROCK2 (0.38) CA2TSHRLMNACYP19A1
SCHEMBL31561625 0.73 CHRNB4 (0.44) MEN1MAPTKMT2A
SCHEMBL30937657 0.73 ROCK2 (0.38) CA2P2RY6CYP19A1TRPV1

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-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS CYTOKINETICS INC (US) 2022-10-20 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-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS TNNT2, TNNI3, MYLK2 CA2 597/4885CA1 4057/4885P2RY6 1984/4885

“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.