SCHEMBL5493333

SCHEMBL5493333

COC(=O)CC(=O)CN1C(=O)c2cccc(CCO)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PABPC1 P11940 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
CASP3 P42574 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL588758 0.80 ALDH1A1 (0.57) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL522853 0.73 POLB (0.54) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14876599 0.72 POLB (0.57) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14876105 0.71 ALDH1A1 (0.62) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL524126 0.69 ALDH1A1 (0.67) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL30522630 0.69 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL1177477 0.69 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL1989875 0.69 ALDH1A1 (0.61) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL11453214 0.66 HPGD (0.55) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL25583424 0.66 POLB (0.81) MEN1KMT2APOLBMAPTKDM4E

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-20070066619-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity ARTESIAN THERAPEUTICS, INC. (US) 2007-03-22 US disclosed
US-7098211-B2 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity ARTESIAN THERAPEUTICS, INC. (US) 2006-08-29 US disclosed
EP-1554267-A1 DIHYDROPYRIDINE COMPOUNDS HAVING SIMULTANEOUS ABILITY TO BLOCK L-TYPE CALCIUM CHANNELS AND TO INHIBIT PHOSPHODIESTERASE TYPE 3 ACTIVITY Artesian Therapeutics, Inc. (US) 2005-07-20 EP disclosed
US-20040242648-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity ARTESIAN THERAPEUTICS, INC. 2004-12-02 US disclosed
WO-2004033444-A1 DIHYDROPYRIDINE COMPOUNDS HAVING SIMULTANEOUS ABILITY TO BLOCK L-TYPE CALCIUM CHANNELS AND TO INHIBIT PHOSPHODIESTERASE TYPE 3 ACTIVITY ARTESIAN THERAPEUTICS, INC. (US) 2004-04-22 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-20040242648-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity CACNA1C, PDE3A, PDE3B MEN1 1325/4885KMT2A 3592/4885NPC1 2200/4885
US-20070066619-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity CACNA1C, PDE3A, PDE3B MEN1 1325/4885KMT2A 3592/4885NPC1 2200/4885

“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.