SCHEMBL5856690

SCHEMBL5856690

COC(=O)CC(C)Cc1nc(-c2ccc(COC3CCCCO3)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
MITF O75030 1/20 0.40
KLF5 Q13887 1/20 0.40
CTSC P53634 1/20 0.40
GAA P10253 1/20 0.40
SPHK1 Q9NYA1 3/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL5856564 0.90 MEN1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5856468 0.79 HDAC1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14940416 0.75 SIRT2 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL5856899 0.74 LMNA (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3809200 0.71 KMT2A (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5856518 0.70 HDAC1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3811958 0.67 KMT2A (0.64) ALDH1A1MEN1KMT2APOLB
SCHEMBL5141254 0.67 CREBBP (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5856955 0.67 GAA (0.41) ALDH1A1SMN1; SMN2LMNAPOLBNPSR1
SCHEMBL393604 0.67 MEN1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV ALDH1A1 669/4885MEN1 4396/4885KMT2A 3366/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B ALDH1A1 834/4885MEN1 3450/4885KMT2A 3771/4885

“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.