SCHEMBL5379544

SCHEMBL5379544

NC(=O)c1cc(CC2CCCC2)on1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR1 P21453 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RIPK1 Q13546 1/20 0.42
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PARP15 Q460N3 2/20 0.36
PARP10 Q53GL7 2/20 0.36
CHEK2 O96017 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL14198669 0.83 SCD (0.49) SCDNPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL31644750 0.77 SCD (0.52) SCDNPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL5379547 0.77 SCD (0.37) SCDNPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL345666 0.74 NOTUM (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1
SCHEMBL3932995 0.74 NOTUM (0.43) NPC1RAB9ASMN1; SMN2S1PR3S1PR1
SCHEMBL4411769 0.74 F2RL1 (0.40) SCDNPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL1320408 0.74 VHL (0.41) SCDNPC1RAB9ASMN1; SMN2
SCHEMBL2619071 0.73 THRB (0.48) NPC1RAB9ASMN1; SMN2SMYD3
SCHEMBL5988237 0.73 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HDAC6
Hydrochloric Acid SCHEMBL4010638 0.73 NOTUM (0.42) NPC1RAB9ASMN1; SMN2S1PR3S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241786-B2 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-10 US claimed
US-7220865-B2 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-05-22 US claimed
EP-1735288-A1 ISOXAZOLE- AND ISOTHIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP claimed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 EP claimed
WO-2005095361-A1 ISOXAZOLE- AND ISOTHIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20050222149-A1 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US claimed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
US-7241786-B2 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-10 US disclosed
US-7220865-B2 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-05-22 US disclosed
EP-1735288-A1 ISOXAZOLE- AND ISOTHIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP disclosed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2005095361-A1 ISOXAZOLE- AND ISOTHIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222149-A1 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US disclosed
US-20040242666-A1 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2004-12-02 US disclosed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 WO 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-20040242666-A1 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders NPY1R, PARK7, IAPP SCD 4791/4885NPC1 351/4885RAB9A 568/4885
US-20050222149-A1 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders NPY1R, PSEN1, APP SCD 4772/4885NPC1 821/4885RAB9A 1449/4885

“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.