SCHEMBL5201727

SCHEMBL5201727

NC(=O)CCCc1nc2ccccc2s1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
ALOX15 P16050 1/20 0.78
LMNA P02545 2/20 0.67
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HPGD P15428 7/20 0.64
POLB P06746 3/20 0.64
ATM Q13315 1/20 0.64
ALDH1A1 P00352 6/20 0.62
RAB9A P51151 1/20 0.62
PKM P14618 3/20 0.58
MAPT P10636 3/20 0.58
HSD17B10 Q99714 1/20 0.58
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL4703104 0.95 HTT (0.71) HTTSMN1; SMN2ALOX15LMNAMEN1
SCHEMBL4700801 0.94 HTT (0.69) HTTSMN1; SMN2ALOX15LMNAMEN1
SCHEMBL5212645 0.92 HPGD (0.68) HTTSMN1; SMN2ALOX15LMNAMEN1
SCHEMBL243430 0.88 SMN1; SMN2 (1.00) HTTSMN1; SMN2ALOX15LMNAMEN1
SCHEMBL12046962 0.84 LMNA (0.74) HTTSMN1; SMN2ALOX15LMNAMEN1
SCHEMBL6645560 0.83 SMN1; SMN2 (0.91) HTTSMN1; SMN2ALOX15LMNAKMT2A
SCHEMBL9641726 0.83 SMN1; SMN2 (0.70) HTTSMN1; SMN2ALOX15LMNAHPGD
SCHEMBL5256099 0.82 SMN1; SMN2 (0.70) HTTSMN1; SMN2ALOX15LMNAMEN1
SCHEMBL25062713 0.82 LMNA (0.67) HTTSMN1; SMN2ALOX15LMNAMEN1
SCHEMBL77032 0.82 KMT2A (0.68) HTTSMN1; SMN2ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US claimed
WO-2010014554-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORPORATION (US) 2010-02-04 WO disclosed
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 EP disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US disclosed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 WO disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (4 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 HTT 3482/4885SMN1; SMN2 3554/4885ALOX15 2590/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 HTT 3482/4885SMN1; SMN2 3554/4885ALOX15 2590/4885
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT HTT 46/4885SMN1; SMN2 8/4885ALOX15 1506/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 HTT 3592/4885SMN1; SMN2 3041/4885ALOX15 2244/4885

“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.