SCHEMBL5422256

SCHEMBL5422256

CCOC(=O)c1ccncc1OC[C@@H]1CO1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
NUDT1 P36639 1/20 0.42
VDR P11473 1/20 0.41
TP53 P04637 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
ELANE P08246 2/20 0.39
TBXAS1 P24557 1/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP1 P29466 1/20 0.38
PKM P14618 1/20 0.37
CSNK1D P48730 1/20 0.37

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
SCHEMBL17150217 0.82 NUDT1 (0.51) ALDH1A1NUDT1TP53CDC7DBF4
SCHEMBL10602219 0.82 ALDH1A1 (0.59) ALDH1A1GLATBXAS1TSHRNPC1
SCHEMBL28734813 0.79 NUDT1 (0.49) ALDH1A1NUDT1TP53CDC7DBF4
SCHEMBL2563447 0.78 NUDT1 (0.47) ALDH1A1GLANUDT1TP53CDC7
SCHEMBL11592980 0.78 ALDH1A1 (0.47) ALDH1A1GLATP53NPC1RAB9A
SCHEMBL28734595 0.76 NUDT1 (0.49) ALDH1A1NUDT1TP53CDC7DBF4
SCHEMBL3605826 0.75 TP53 (0.45) ALDH1A1NUDT1TP53CDC7DBF4
SCHEMBL11592917 0.75 ALDH1A1 (0.43) ALDH1A1GLAVDRTP53TSHR
SCHEMBL277304 0.75 TSHR (0.53) ALDH1A1GLANUDT1TP53CDC7
SCHEMBL11592380 0.74 ALDH1A1 (0.46) ALDH1A1GLAVDRTP53TSHR

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-20070123543-A1 Novel compounds ASTRAZENECA AB (SE) 2007-05-31 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-20070123543-A1 Novel compounds C1R, CHRM2, CHRM1 ALDH1A1 1964/4885GLA 3835/4885CHRNB2 971/4885

“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.