SCHEMBL20550627

SCHEMBL20550627

NC(=NO)c1ccc2nc(-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 0.54
▸ LIMK1 P53667 1/20 0.54
▸ CDK5 Q00535 1/20 0.54
▸ CLK4 Q9HAZ1 1/20 0.54
▸ 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
▸ MAPT P10636 4/20 0.52
▸ POLB P06746 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HSD17B10 Q99714 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL20550628 0.91 ALOX5 (0.55) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL20550456 0.82 ALOX5 (0.63) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL18229600 0.81 ALDH1A1 (0.63) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL28028783 0.78 CHEK2 (0.60) KMT2AMEN1CYP3A4HDAC1HDAC2
SCHEMBL10758216 0.78 ALOX5 (1.00) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL8603371 0.78 ALOX5 (0.73) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL13882945 0.78 HDAC6 (0.52) CYP3A4HDAC1HDAC2F2F10
SCHEMBL13167140 0.78 HDAC6 (0.57) KMT2AMEN1CYP3A4HDAC1HDAC2
SCHEMBL13167150 0.78 HDAC6 (0.52) CYP3A4HDAC1HDAC2F2F10
SCHEMBL1251960 0.75 DGAT1 (0.58) CYP3A4HDAC1HDAC2F2F10

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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