SCHEMBL3909244

SCHEMBL3909244

Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.48
PKM P14618 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
LTA4H P09960 1/20 0.46
ALOX15 P16050 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTPN1 P18031 1/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 1/20 0.45

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
SCHEMBL6097608 0.84 RAB9A (0.50) NPC1RAB9ALMNAALDH1A1PTPN1
SCHEMBL27982917 0.83 NPC1 (0.54) NPC1RAB9AHSD17B10GAAMAPK1
SCHEMBL3902870 0.82 ALOX15 (0.59) NPC1RAB9ALMNAHSD17B10GAA
SCHEMBL3909240 0.81 EPHX1 (0.52) NPC1RAB9ALMNAALDH1A1PTPN1
SCHEMBL27982933 0.79 GAA (0.57) NPC1RAB9ALMNAHSD17B10PKM
SCHEMBL27983241 0.79 HPGD (0.64) NPC1RAB9ALMNAPKMGAA
SCHEMBL8779321 0.79 NPC1 (0.54) NPC1RAB9ALMNAHSD17B10GAA
SCHEMBL3906094 0.78 MAPK1 (0.62) NPC1RAB9ALMNAHSD17B10GAA
SCHEMBL3912591 0.77 DAO (0.48) RAB9ALTA4HALDH1A1TSHREPHX1
SCHEMBL7022003 0.77 PTPN1 (0.47) NPC1RAB9ALMNAALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP disclosed
US-7408068-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-08-05 US disclosed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US disclosed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US disclosed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO disclosed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 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 (2 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-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 NPC1 125/4885RAB9A 800/4885LMNA 1218/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 NPC1 125/4885RAB9A 800/4885LMNA 1218/4885

“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.