SCHEMBL1610368

SCHEMBL1610368

COC(=O)c1nc(C2CC2)nc(NCC(O)c2cccc(O)c2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD1 P21728 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1610436 0.89 PDE10A (0.42) TSHRRAB9AKDM4ECHRNA7PDE10A
SCHEMBL1609853 0.88 ALDH1A1 (0.36) HIF1AADRB2ADRB1ADRB3HTR1A
SCHEMBL1610314 0.84 PDE10A (0.44) TSHRSLC6A3PDE10AALDH1A1SMN1; SMN2
SCHEMBL1609438 0.81 PDE10A (0.42) TSHRRAB9APDE10AALDH1A1SMN1; SMN2
SCHEMBL12713060 0.80 PDE10A (0.36) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1610096 0.80 MAPK1 (0.34) ADRB2ADRB1ADRB3SLC6A3KDM4E
SCHEMBL1610357 0.78 HCRTR1 (0.37)
SCHEMBL1609696 0.77 P2RX3 (0.38) TSHRSLC6A3KDM4EGAAPDE10A
SCHEMBL1609687 0.77 PDE10A (0.45) SLC6A3PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12712720 0.75 PDE10A (0.49) LMNAPDE10A

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 HIF1A 3397/4885ADRB2 2788/4885ADRB1 2578/4885

“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.