SCHEMBL3902138

SCHEMBL3902138

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

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2773847 0.80 SMN1; SMN2 (0.41) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL3905827 0.79
Hydrochloric Acid SCHEMBL2968730 0.78 RAB9A (0.40) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL3905814 0.78 NPC1 (0.30) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL16238698 0.74 ALDH1A1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3901618 0.73 ALDH1A1 (0.30) SMN1; SMN2ALDH1A1
SCHEMBL3902141 0.72 KMT2A (0.46) NPC1CYP2C9CYP2C19RAB9ASMN1; SMN2
SCHEMBL3901356 0.71 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3909352 0.68 PARP1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3900149 0.67 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1

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 NPC1 125/4885CYP1A2 3823/4885CYP2C9 4639/4885
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 NPC1 125/4885CYP1A2 3823/4885CYP2C9 4639/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 NPC1 125/4885CYP1A2 3823/4885CYP2C9 4639/4885

“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.