SCHEMBL6281552

SCHEMBL6281552

CC(=O)c1ccc2c(c1)ncn2C[C@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.52
HCAR3 P49019 1/20 0.48
APAF1 O14727 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
F10 P00742 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL6175661 0.85 RIPK1 (0.49) HCAR3APAF1NPC1RAB9AF10
SCHEMBL6277706 0.85 RIPK1 (0.49) HCAR3APAF1NPC1RAB9AF10
SCHEMBL6285546 0.84 F10 (0.42) FGFR1HCAR3APAF1NPC1RAB9A
SCHEMBL6112712 0.82 NPC1 (0.62) FGFR1HCAR3NPC1RAB9AF10
SCHEMBL6112850 0.80 HPGD (0.57) FGFR1HCAR3NPC1RAB9AHTT
SCHEMBL9680193 0.79 FGFR1 (0.53) FGFR1HCAR3NPC1RAB9AF10
SCHEMBL6285544 0.79 ALDH1A1 (0.51) HPGDPOLBLMNAALDH1A1MEN1
SCHEMBL20985903 0.78 MAPT (0.60) FGFR1APAF1F10HTTSMN1; SMN2
SCHEMBL6285122 0.78 POLB (0.45) APAF1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL6283673 0.78 POLB (0.45) APAF1HTTSMN1; SMN2MAPTPOLB

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 FGFR1 900/4885HCAR3 3590/4885APAF1 30/4885

“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.