SCHEMBL660680

SCHEMBL660680

O=C(NCCO)C1=CN(CC(=O)c2ccccc2)C=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
POLB P06746 2/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CES1 P23141 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
SCHEMBL659968 0.88 TSHR (0.37) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL298474 0.86 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL660154 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL660292 0.83 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2ACACNA1BAPBA1
SCHEMBL27854995 0.82 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7805087 0.81 HDAC1 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL661019 0.81 NPSR1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL660868 0.81 LMNA (0.33) MEN1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL287206 0.81 PTGS2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL660917 0.80 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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 (1 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT SMN1; SMN2 640/4885MEN1 1455/4885KMT2A 4512/4885

“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.