SCHEMBL662087

SCHEMBL662087

CCCCOC(=O)C1=CN(CC(=O)c2ccc(Cl)cc2Cl)C=CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
THRB P10828 5/20 0.40
ESR1 P03372 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
THRA P10827 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 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
SCHEMBL660547 0.88 ALDH1A1 (0.39) KMT2AALDH1A1L3MBTL1MAPK1HIF1A
SCHEMBL661570 0.81 ALDH1A1 (0.51) KMT2ACNR1ALDH1A1TDP1L3MBTL1
SCHEMBL660255 0.79 ALDH1A1 (0.47) KMT2AALDH1A1MAPK1HIF1AKDM4E
SCHEMBL27573195 0.78 KMT2A (0.47) KMT2ACNR1ALDH1A1TDP1L3MBTL1
SCHEMBL287385 0.78 ALDH1A1 (0.46) KMT2AALDH1A1TDP1L3MBTL1THRB
SCHEMBL18481835 0.77 KMT2A (0.73) KMT2ACNR1ALDH1A1TDP1L3MBTL1
SCHEMBL7808649 0.76 ALDH1A1 (0.42) KMT2AALDH1A1TDP1L3MBTL1THRB
SCHEMBL286986 0.75 MAPT (0.46) KMT2AALDH1A1TDP1L3MBTL1THRB
SCHEMBL659989 0.74 MEN1 (0.44) KMT2AALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL661083 0.73 ALDH1A1 (0.39) KMT2AALDH1A1TDP1L3MBTL1THRB

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 KMT2A 4512/4885CNR1 968/4885ALDH1A1 676/4885

“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.