SCHEMBL20550741

SCHEMBL20550741

N#Cc1ccc2nc(-c3ccco3)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.64
▸ EPHX2 P34913 1/20 0.64
▸ CHEK1 O14757 1/20 0.57
▸ LIMK1 P53667 1/20 0.57
▸ CDK5 Q00535 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ PKN1 Q16512 1/20 0.57
▸ PKN2 Q16513 1/20 0.57
▸ METAP2 P50579 1/20 0.56
▸ METAP1 P53582 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CHEK2 O96017 1/20 0.53
▸ MAPT P10636 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PKM P14618 1/20 0.53

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
SCHEMBL20550742 0.89 ALOX5 (0.53) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL5488987 0.82 METAP2 (0.47) ALOX5EPHX2PKN1PKN2METAP2
SCHEMBL12082439 0.81 ALOX5 (0.69) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL8603371 0.81 ALOX5 (0.73) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL10758216 0.78 ALOX5 (1.00) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL20982510 0.77 PKN1 (0.82) PKN1PKN2METAP2METAP1ALDH1A1
SCHEMBL18764054 0.77 CHEK2 (0.78) PKN1PKN2METAP2METAP1ALDH1A1
SCHEMBL13185303 0.76 PKN1 (0.54) PKN1PKN2METAP2METAP1ALDH1A1
SCHEMBL13185225 0.76 CHEK2 (0.60) PKN1PKN2METAP2METAP1CHEK2
Fuberidazole SCHEMBL23174 0.76 ALOX5 (0.65) ALOX5EPHX2CHEK1LIMK1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180317484-A1 COMPOSITION FOR INHIBITING SYNTHESIS OF MYCOTOXIN WITHOUT AFFECTING THE GROWTH OF THE FUNGI VIT UNIVERSITY (IN) 2018-11-08 — — US claimed
US-20180317484-A1 COMPOSITION FOR INHIBITING SYNTHESIS OF MYCOTOXIN WITHOUT AFFECTING THE GROWTH OF THE FUNGI VIT UNIVERSITY (IN) 2018-11-08 — — 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-20180317484-A1 COMPOSITION FOR INHIBITING SYNTHESIS OF MYCOTOXIN WITHOUT AFFECTING THE GROWTH OF THE FUNGI NAT1, AKR7A2, CYC1 ALOX5 374/4885EPHX2 1670/4885CHEK1 1668/4885

“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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