SCHEMBL3902870

SCHEMBL3902870

Nc1nnc(SCc2cccc(F)c2)s1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
KMT2A Q03164 1/20 0.57
RELA Q04206 1/20 0.57
ABL1 P00519 3/20 0.55
SRC P12931 3/20 0.55
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL27982933 0.82 GAA (0.57) ALOX15CRHBPCRHR2HSD17B10RAB9A
SCHEMBL27983241 0.82 HPGD (0.64) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL8779321 0.82 NPC1 (0.54) ALOX15CRHBPCRHR2HSD17B10RAB9A
SCHEMBL3909244 0.82 NPC1 (0.50) ALOX15CRHBPCRHR2HSD17B10RAB9A
SCHEMBL8177453 0.81 NPC1 (0.67) ALOX15CRHBPCRHR2HSD17B10RAB9A
SCHEMBL3906094 0.81 MAPK1 (0.62) HSD17B10RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3902864 0.80 ABL1 (0.61) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL10999519 0.79 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL4853872 0.79 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10673473 0.75 GAA (0.51) RAB9ANPC1SMN1; SMN2KMT2ALMNA

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 14 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 claimed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US claimed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US claimed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP claimed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO claimed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US claimed
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP disclosed
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-10-09 US 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 (3 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 ALOX15 2024/4885CRHBP 3415/4885CRHR2 1867/4885
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 ALOX15 2024/4885CRHBP 3415/4885CRHR2 1867/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 ALOX15 2024/4885CRHBP 3415/4885CRHR2 1867/4885

“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.