SCHEMBL6406779

SCHEMBL6406779

CN(C)c1nc(-c2ccc(C=O)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
MAPT P10636 6/20 0.60
NPC1 O15118 6/20 0.48
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2A6 P11509 1/20 0.43
CYP2A13 Q16696 1/20 0.43
PTGS2 P35354 1/20 0.43
GRM1 Q13255 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
MMP13 P45452 1/20 0.41
NFKB2 Q00653 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
SCHEMBL22594687 0.80 RAB9A (0.62) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL249591 0.78 RAB9A (0.57) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL16083113 0.78 RAB9A (0.60) RAB9AMAPTNPC1ALDH1A1PTGS2
SCHEMBL12070478 0.78 RAB9A (0.60) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL7476639 0.78 RAB9A (0.60) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL1009194 0.78 RAB9A (0.68) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL9481963 0.78 RAB9A (0.62) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL6406776 0.77 RAB9A (0.60) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL1746506 0.77 KMT2A (0.57) RAB9AMAPTNPC1LMNAALDH1A1
SCHEMBL1474111 0.76 RAB9A (0.63) RAB9AMAPTNPC1ALDH1A1GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US claimed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US claimed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO claimed
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US disclosed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO 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-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 RAB9A 2791/4885MAPT 2884/4885NPC1 972/4885

“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.