SCHEMBL30733412

SCHEMBL30733412

O=S(=O)(c1ccc2c(c1)COC2)N1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
SIGMAR1 Q99720 10/20 0.44
TSHR P16473 3/20 0.44
CYP2D6 P10635 3/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
ACLY P53396 1/20 0.43
DRD2 P14416 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2B P41595 1/20 0.42
MTOR P42345 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL26969718 0.84 HDAC1 (0.49) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL30733402 0.81 HDAC1 (0.48) HDAC1HDAC6SIGMAR1TSHRCYP2D6
SCHEMBL30733404 0.78 HDAC1 (0.43) HDAC1HDAC6SIGMAR1TSHRCYP2D6
SCHEMBL30733426 0.77 HDAC1 (0.52) HDAC1HDAC6SIGMAR1TSHRCYP2D6
SCHEMBL26969774 0.74 CYP3A4 (0.48) HDAC1HDAC6TSHRCYP2D6TP53
SCHEMBL25276068 0.74 KMT2A (0.43) TSHRTP53ALDH1A1ACLYHTR2C
SCHEMBL30733411 0.72 SIGMAR1 (0.46) HDAC1HDAC6SIGMAR1TSHRCYP2D6
SCHEMBL26969759 0.72 KDM4E (0.41) HDAC1HDAC6TSHRCYP2D6TP53
SCHEMBL26969709 0.71 CXCR4 (0.43) TSHRCYP2D6CYP3A4ALDH1A1MEN1
SCHEMBL1980590 0.70 HDAC1 (0.68) HDAC1HDAC6SIGMAR1TSHRCYP2D6

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-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 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-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 HDAC1 2067/4885HDAC6 526/4885SIGMAR1 683/4885

“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.