SCHEMBL6407201

SCHEMBL6407201

CN1CCN(c2nc(-c3ccc(C=O)cc3)cs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
POLB P06746 2/20 0.54
RAB9A P51151 7/20 0.53
MAPK1 P28482 4/20 0.52
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 5/20 0.49
HPGD P15428 1/20 0.49
AR P10275 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL8043279 0.83 RAB9A (0.61) ALDH1A1POLBRAB9AMAPK1LMNA
SCHEMBL14183837 0.81 SMN1; SMN2 (0.72) ALDH1A1POLBRAB9AMAPK1LMNA
SCHEMBL6407199 0.81 ALDH1A1 (0.54) ALDH1A1POLBRAB9AMAPK1LMNA
SCHEMBL7927071 0.80 ALDH1A1 (0.48) ALDH1A1POLBRAB9AMAPK1LMNA
SCHEMBL1169212 0.80 CHEK1 (0.58) ALDH1A1POLBRAB9AMAPK1LMNA
SCHEMBL12632067 0.80 ALDH1A1 (0.56) ALDH1A1POLBRAB9AMAPK1LMNA
SCHEMBL12669971 0.80 ALDH1A1 (0.56) ALDH1A1POLBRAB9AMAPK1LMNA
SCHEMBL1936698 0.79 SMN1; SMN2 (0.61) ALDH1A1POLBRAB9AMAPK1LMNA
Bromide SCHEMBL1146428 0.79 CHEK1 (0.57) ALDH1A1POLBRAB9AMAPK1LMNA
SCHEMBL2157208 0.79 ALDH1A1 (0.58) ALDH1A1POLBRAB9AMAPK1LMNA

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 ALDH1A1 2068/4885POLB 4093/4885RAB9A 2791/4885

“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.