SCHEMBL6285544

SCHEMBL6285544

C[C@H](O)Cn1cnc2cc(C(=O)NCCN(C)C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HPGD P15428 7/20 0.50
HDAC1 Q13547 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
SUV39H1 O43463 1/20 0.43
TOP2A P11388 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 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
SCHEMBL6175661 0.83 RIPK1 (0.49) ALDH1A1HPGDHDAC1MEN1KMT2A
SCHEMBL6277706 0.83 RIPK1 (0.49) ALDH1A1HPGDHDAC1MEN1KMT2A
SCHEMBL6175805 0.80 ALDH1A1 (0.48) ALDH1A1HPGDHDAC1MEN1KMT2A
SCHEMBL6281552 0.79 FGFR1 (0.52) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL6285546 0.76 F10 (0.42) ALDH1A1HPGDLMNAPOLB
SCHEMBL14065328 0.73 KMT2A (0.52) HPGDMEN1KMT2ALMNATP53
SCHEMBL21642492 0.72 MEN1 (0.62) ALDH1A1HPGDHDAC1MEN1KMT2A
SCHEMBL31374391 0.72 NPC1 (0.56) ALDH1A1HPGDHDAC1MEN1KMT2A
SCHEMBL15774565 0.71 HPGD (0.62) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL15991875 0.71 PPARG (0.62) ALDH1A1HPGDHDAC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS ALDH1A1 1294/4885HPGD 3637/4885HDAC1 585/4885

“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.