SCHEMBL29992158

SCHEMBL29992158

COC(=O)C1=C(O)c2cc(Cl)c(Cl)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.41
SLC6A2 P23975 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.38
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL21557572 0.78 NR4A2 (0.38) SLC6A3ALDH1A1MAPTHTTCYP1A2
SCHEMBL21474580 0.74 SLC6A3 (0.44) SLC6A3SLC6A2ALDH1A1MAPTKDM4E
SCHEMBL12401719 0.73 KDM4E (0.47) SLC6A3SLC6A2ALDH1A1MAPTKDM4E
SCHEMBL12389716 0.69 CA12 (0.47) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL25668011 0.68 ALPL (0.40) SLC6A3SLC6A2ALDH1A1MAPTKDM4E
SCHEMBL771946 0.66 AHR (0.46) SLC6A3ALDH1A1
SCHEMBL31399090 0.66 AHR (0.46) SLC6A3ALDH1A1
SCHEMBL20722748 0.66 KDM4E (0.35) SLC6A3SLC6A2ALDH1A1MAPTKDM4E
SCHEMBL30968495 0.66 KDM4E (0.35) SLC6A3SLC6A2ALDH1A1MAPTKDM4E
SCHEMBL1953848 0.64 GAA (0.58) SLC6A3SLC6A2ALDH1A1MAPTKDM4E

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 SLC6A3 3720/4885SLC6A2 2002/4885ALDH1A1 4498/4885

“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.