SCHEMBL22639780

SCHEMBL22639780

Cc1noc(CNS(=O)(=O)Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ SLC6A3 Q01959 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL22639775 0.86 MAPT (0.48) KDM1AMAOAMAPTCYP2C9CYP2C19
SCHEMBL10094741 0.74 SMN1; SMN2 (0.56) KDM1AMAOAALDH1A1HPGDSLC6A3
SCHEMBL2069406 0.74 NPC1 (0.49) KDM1AMAOAALDH1A1SLC6A3MAPT
SCHEMBL813026 0.73 CA2 (0.68) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL13263307 0.70 KDM1A (0.45) KDM1AMAOASLC6A3MAPTCYP2C9
SCHEMBL22640000 0.70 MEN1 (0.54) ALDH1A1MAPTCYP2C9CYP2C19HSD17B10
SCHEMBL18498694 0.70 MAPT (0.59) MAPT
SCHEMBL22640138 0.69 NPC1 (0.57) ALDH1A1MAPT
SCHEMBL22640139 0.69 NPC1 (0.57) ALDH1A1MAPT
SCHEMBL634317 0.69 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDCA1CA2

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 — — 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 KDM1A 4618/4885MAOA 4312/4885ALDH1A1 1636/4885

“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.

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