SCHEMBL4853872

SCHEMBL4853872

COc1cccc(CSc2nnc(N)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 4/20 0.53
ABL1 P00519 1/20 0.53
HPGD P15428 1/20 0.53
RIN1 Q13671 1/20 0.53
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL8779299 0.84 NPC1 (0.54) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL6381460 0.83 NPC1 (0.65) NPC1RAB9ALMNAALDH1A1ABL1
SCHEMBL27983241 0.82 HPGD (0.64) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL4853860 0.81 ABCC8 (0.57) NPC1RAB9ALMNAALDH1A1ABL1
SCHEMBL3902870 0.79 ALOX15 (0.59) NPC1RAB9ALMNAABL1KMT2A
SCHEMBL27982933 0.79 GAA (0.57) NPC1RAB9ALMNAABL1L3MBTL1
SCHEMBL8779321 0.79 NPC1 (0.54) NPC1RAB9ALMNAALDH1A1POLB
SCHEMBL3906094 0.78 MAPK1 (0.62) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL3898580 0.77 POLB (0.50) NPC1RAB9ALMNAALDH1A1POLB
SCHEMBL29194587 0.76 ALDH1A1 (0.68) LMNAALDH1A1HPGDPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NPC1 125/4885RAB9A 800/4885LMNA 1218/4885
US-20080249094-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.