SCHEMBL6279563

SCHEMBL6279563

COC(C)Sc1nc2ccccc2n1C[C@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTBP1 P26599 1/20 0.41

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
SCHEMBL6285172 0.86 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL8360122 0.82 MAPT (0.55) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6313465 0.82 MAPT (0.55) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6276823 0.82 MAPT (0.55) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6280071 0.80 NPC1 (0.59) ALDH1A1MEN1KMT2ANPC1HSD17B10
SCHEMBL6277488 0.80 AR (0.56) MEN1KMT2ATP53THRBMAPT
SCHEMBL6281551 0.76 PTGDR2 (0.64) NPC1MAPTCYP3A4CYP2C19NPSR1
SCHEMBL6282679 0.76 MAPT (0.52) ALDH1A1MEN1KMT2AHSD17B10TP53
SCHEMBL6282492 0.74 MEN1 (0.50) ALDH1A1MEN1KMT2ATP53THRB
SCHEMBL6177373 0.74 SMN1; SMN2 (0.69) ALDH1A1NPC1MAPTPOLBTSHR

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 1294/4885MEN1 4161/4885KMT2A 4213/4885

“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.