SCHEMBL1610198

SCHEMBL1610198

CCOC(=O)c1nc(C2CC2)nc(NCc2ccco2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 8/20 0.48
MAPT P10636 6/20 0.48
HPGD P15428 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 4/20 0.47
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 2/20 0.44
EED O75530 1/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
STAT3 P40763 1/20 0.43

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
SCHEMBL1612383 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL1608908 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL1611275 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL12713463 0.88 PDE10A (0.44) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL1610141 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL1610317 0.86 SMN1; SMN2 (0.42) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL1610521 0.85 AURKA (0.43) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL1609772 0.84 PDE10A (0.61) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL1610417 0.84 SMN1; SMN2 (0.48) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL1610420 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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 (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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 ALDH1A1 1562/4885KDM4E 2613/4885MAPT 2800/4885

“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.