SCHEMBL659989

SCHEMBL659989

CCCCOC(=O)C1=CN(CC(=O)Nc2ccccc2)C=CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 7/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
PPARA Q07869 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CYP1A2 P05177 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
SCHEMBL27579366 0.77 MEN1 (0.44) MEN1KMT2ATSHRTDP1L3MBTL1
SCHEMBL287827 0.75 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL662087 0.74 KMT2A (0.47) KMT2ATSHRTDP1L3MBTL1ALDH1A1
SCHEMBL660292 0.73 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL286819 0.69 MAPT (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3765824 0.68 RAB9A (0.69) MEN1KMT2ATSHRL3MBTL1ALDH1A1
Dibutyl Phthalate SCHEMBL8813340 0.66 TSHR (0.96) TSHRTDP1L3MBTL1ALDH1A1MAPK1
Dibutyl Phthalate SCHEMBL28924279 0.66 TSHR (0.96) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL16409794 0.66 EPHX2 (0.66) L3MBTL1CYP3A4HPGDKDM4E
SCHEMBL17183962 0.66 ALDH1A1 (0.60) MEN1KMT2ATSHRL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 1455/4885KMT2A 4512/4885TSHR 4816/4885

“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.