SCHEMBL4559227

SCHEMBL4559227

OCc1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.36
NOTUM Q6P988 5/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
HSD17B10 Q99714 2/20 0.33
TTR P02766 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
DBH P09172 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL21776830 0.82 NOTUM (0.52) NOTUM
SCHEMBL19402280 0.76 NOTUM (0.47) NOTUMCYP3A4CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL17188088 0.75 MYC (0.50) F9NOTUMALDH1A1TSHRSMN1; SMN2
SCHEMBL5477117 0.74 NOTUM (0.52) NOTUMCYP3A4CYP2C9ALDH1A1TSHR
SCHEMBL2215697 0.72 NOTUM (0.49) NOTUMTTRALDH1A1SMN1; SMN2MAPT
SCHEMBL4886069 0.72 MAPT (0.47) NOTUMHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL12263160 0.71 NOTUM (0.55) NOTUMTTRSMN1; SMN2MAPT
SCHEMBL20096920 0.70 NOTUM (0.50) NOTUMALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2211673 0.68 NOTUM (0.54) NOTUMALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL23975942 0.68 NOTUM (0.52) F9NOTUMCYP3A4CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 F9 2601/4885NOTUM 3691/4885CYP3A4 1541/4885

“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.