SCHEMBL4489640

SCHEMBL4489640

O=S(=O)(NCc1ccccn1)c1cccc2c(O)cccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ACHE P22303 1/20 0.55
POLB P06746 1/20 0.53
HTT P42858 1/20 0.52
PRMT1 Q99873 1/20 0.51
ATM Q13315 1/20 0.51
MCL1 Q07820 1/20 0.49

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
SCHEMBL169187 0.85 L3MBTL1 (0.60) L3MBTL1KDM4EALDH1A1HPGDCASP1
SCHEMBL4443025 0.84 NSD2 (0.65) L3MBTL1KDM4EALDH1A1HPGDCASP1
Hydrochloric Acid SCHEMBL4446948 0.83 NSD2 (0.66) L3MBTL1KDM4EALDH1A1HPGDCASP1
SCHEMBL4443054 0.81 ATM (0.60) L3MBTL1KDM4EALDH1A1HPGDCASP1
Pyrabactin A SCHEMBL9932519 0.80 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDCASP1
Pyrabactin A SCHEMBL29395044 0.80 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDCASP1
Pyrabactin A SCHEMBL30157573 0.80 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDCASP1
SCHEMBL4483905 0.79 NSD2 (0.69) KDM4EALDH1A1MCL1
Pyrabactin A SCHEMBL2476266 0.78 ALDH1A1 (0.50) L3MBTL1KDM4EALDH1A1HPGDCASP1
SCHEMBL4482549 0.78 L3MBTL1 (0.58) L3MBTL1ALDH1A1MEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US claimed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 US claimed
US-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US disclosed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 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-20050215645-A1 Amide derivatives OGG1, HDAC1, BCL2A1 L3MBTL1 1618/4885KDM4E 2212/4885ALDH1A1 1461/4885

“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.