SCHEMBL1609177

SCHEMBL1609177

COC(=O)c1nc(C2CC2)nc(NC(Cc2ccc(F)cc2)C(=O)OC)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.42
NOS3 P29474 3/20 0.40
NOS1 P29475 3/20 0.40
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.34
NPR3 P17342 1/20 0.34
AVPR1A P37288 2/20 0.34
ELANE P08246 1/20 0.34
OXTR P30559 1/20 0.34
YAP1 P46937 1/20 0.34
P2RX3 P56373 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33

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
SCHEMBL1610879 0.92 NOS2 (0.38) NOS2ELANEP2RX3KMT2ANPSR1
SCHEMBL1610877 0.92 NOS2 (0.38) NOS2ELANEP2RX3KMT2ANPSR1
SCHEMBL12712978 0.91 P2RX3 (0.39) P2RX3
SCHEMBL1609306 0.91 NPSR1 (0.42) TSHRELANEKMT2ANPSR1CDK2
SCHEMBL1609304 0.91 NPSR1 (0.42) TSHRELANEKMT2ANPSR1CDK2
SCHEMBL1609302 0.90 PDE10A (0.43) NOS2NOS3NOS1TSHRELANE
SCHEMBL12712973 0.84 PDE10A (0.37) NOS2NOS3NOS1YAP1P2RX3
SCHEMBL12738485 0.83 PDE10A (0.43) KMT2AITGB1ITGA4
SCHEMBL1609813 0.83 USP2 (0.39) NOS2NOS3NOS1P2RX3KMT2A
SCHEMBL1609815 0.83 USP2 (0.39) NOS2NOS3NOS1P2RX3KMT2A

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 3 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
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 NOS2 203/4885NOS3 193/4885NOS1 129/4885

“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.