SCHEMBL3901356

SCHEMBL3901356

CCCC(C)c1nnc(C(N)=O)s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
APOBEC3G Q9HC16 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GLS O94925 1/20 0.36
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL16238698 0.86 ALDH1A1 (0.35) ALDH1A1MAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL3900149 0.81 ALDH1A1 (0.36) ALDH1A1MAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL3901618 0.79 ALDH1A1 (0.30) ALDH1A1MAPTSMN1; SMN2GLS
SCHEMBL2773847 0.78 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3905827 0.78
SCHEMBL1743688 0.77 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2HSD17B10TSHR
SCHEMBL3905814 0.77 NPC1 (0.30) ALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL2968730 0.77 RAB9A (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3909193 0.76 KDM4E (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3904975 0.74 SMN1; SMN2 (0.36) ALDH1A1MAPTSMN1; SMN2CA2NPC1

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 ALDH1A1 2945/4885MAPT 9/4885HPGD 2301/4885
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 ALDH1A1 2945/4885MAPT 9/4885HPGD 2301/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 ALDH1A1 2945/4885MAPT 9/4885HPGD 2301/4885

“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.