SCHEMBL2879167

SCHEMBL2879167

Nc1cc(C(=O)NCC2(O)CCCCC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.47
ROCK2 O75116 1/20 0.46
PREP P48147 1/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44

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
SCHEMBL13299339 0.84 P2RX7 (0.52) P2RX7ROCK2CNR2
SCHEMBL2854387 0.81 P2RX7 (0.53) P2RX7ROCK2
SCHEMBL2876638 0.75 MEN1 (0.56) ROCK2PREPSMYD3
SCHEMBL13324073 0.74 GABRP (0.56) PREPGABRPGABRDGABRA1GABRB1
SCHEMBL28281220 0.74 LMNA (0.65) P2RX7ROCK2
SCHEMBL13175575 0.73 TP53 (0.51) P2RX7
SCHEMBL1417739 0.73 GABRP (0.63) P2RX7PREPGABRPGABRDGABRA1
SCHEMBL8726980 0.73 THRB (0.57) P2RX7ROCK2
SCHEMBL28871837 0.72 SMYD3 (0.54) PREPGABRPGABRDGABRA1GABRB1
SCHEMBL29945655 0.72 SMYD3 (0.54) PREPGABRPGABRDGABRA1GABRB1

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-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
EP-2174931-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-04-14 EP 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-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME NAAA, NAT1, SAT1 P2RX7 3915/4885ROCK2 2876/4885PREP 617/4885

“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.