SCHEMBL1610959

SCHEMBL1610959

COC(=O)c1nc(C2CC2)nc(NC(CO)Cc2c[nH]c3ccccc23)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ SRC P12931 1/20 0.47
▸ BBOX1 O75936 2/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ KCNA5 P22460 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ GPR84 Q9NQS5 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
SCHEMBL1610962 1.00 TDP1 (0.48) TDP1SRCBBOX1HDAC3HDAC4
SCHEMBL1609942 0.90 TDP1 (0.49) TDP1BBOX1KCNA5KCNH2ITGB2
SCHEMBL1609510 0.88 TDP1 (0.61) TDP1BBOX1KCNA5KCNH2MAPT
SCHEMBL1610254 0.83 PDE10A (0.43) SRCKDM4EMAPT
SCHEMBL1608814 0.83 PDE10A (0.43) SRCKDM4EMAPT
SCHEMBL1609091 0.82 CDK2 (0.47) TDP1POLBRAB9A
SCHEMBL1610458 0.76 PDE10A (0.39) TDP1SRCKDM4EL3MBTL1GAA
SCHEMBL1610144 0.75 EGFR (0.39) —
SCHEMBL1611523 0.75 EGFR (0.39) —
SCHEMBL1609871 0.75 EGFR (0.39) —

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 — — 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 TDP1 344/4885SRC 2111/4885BBOX1 131/4885

“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.

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