SCHEMBL3658812

SCHEMBL3658812

CC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.73
LMNA P02545 4/20 0.68
ALDH1A1 P00352 2/20 0.67
GAA P10253 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
MAPK1 P28482 1/20 0.62
POLB P06746 2/20 0.61
KMT2A Q03164 2/20 0.61
PABPC1 P11940 1/20 0.61
EIF4H Q15056 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
MAPT P10636 1/20 0.58
IL1RN P18510 1/20 0.58

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
SCHEMBL30695442 0.88 MAPT (0.76) NPC1LMNAALDH1A1GAAMAPK1
SCHEMBL3824747 0.88 MAPT (0.76) NPC1LMNAALDH1A1GAAMAPK1
SCHEMBL7311044 0.88 SMN1; SMN2 (0.77) NPC1LMNAALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4254371 0.87 MAPT (0.74) NPC1LMNAALDH1A1GAAMAPK1
SCHEMBL2852725 0.87 GAA (0.74) NPC1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL19002721 0.87 SMN1; SMN2 (0.75) NPC1LMNAALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4254478 0.86 GAA (0.63) NPC1LMNAGAASMN1; SMN2MAPK1
SCHEMBL16219387 0.85 ALDH1A1 (0.63) NPC1LMNAALDH1A1GAASMN1; SMN2
SCHEMBL14697002 0.85 KMT2A (0.73) NPC1LMNAALDH1A1GAAMAPK1
SCHEMBL7321050 0.84 KMT2A (0.80) ALDH1A1MAPK1KMT2ATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203453-A1 PYRAZOLO[5, 1-C] [1,2,4]TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2010-07-07 EP disclosed
WO-2009039387-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF WYETH (US) 2009-03-26 WO disclosed
US-20090082354-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF WYETH (US) 2009-03-26 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-20090082354-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF RAF1, BRAF, ARAF NPC1 2457/4885LMNA 3433/4885ALDH1A1 1422/4885

“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.