SCHEMBL10090691

SCHEMBL10090691

COc1cccc(/C=N/c2ccccc2C(N)=O)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.70
AKR1C2 P52895 1/20 0.70
AKR1C1 Q04828 1/20 0.70
ALDH1A1 P00352 7/20 0.69
LMNA P02545 5/20 0.69
HPGD P15428 5/20 0.69
TLR2 O60603 1/20 0.68
TLR1 Q15399 1/20 0.68
TLR6 Q9Y2C9 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.62
HTT P42858 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
GAA P10253 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 6/20 0.53
POLB P06746 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
SCHEMBL524859 0.85 SMN1; SMN2 (0.76) ALDH1A1LMNAHPGDTLR2TLR1
SCHEMBL6009783 0.85 SMN1; SMN2 (0.76) ALDH1A1LMNAHPGDTLR2TLR1
SCHEMBL10090683 0.82 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C1ALDH1A1LMNA
SCHEMBL28982449 0.81 TLR2 (1.00) ALDH1A1LMNAHPGDTLR2TLR1
SCHEMBL13187231 0.81 TLR2 (1.00) ALDH1A1LMNAHPGDTLR2TLR1
SCHEMBL29819638 0.81 TLR2 (1.00) ALDH1A1LMNAHPGDTLR2TLR1
SCHEMBL4090135 0.78 AKR1C3 (0.81) AKR1C3AKR1C2AKR1C1ALDH1A1LMNA
SCHEMBL12012954 0.77 SMN1; SMN2 (0.65) ALDH1A1LMNAHPGDTLR2TLR1
SCHEMBL10090704 0.76 ALDH1A1 (1.00) AKR1C3AKR1C2AKR1C1ALDH1A1LMNA
SCHEMBL23008984 0.76 MAPT (0.59) ALDH1A1LMNAHPGDTLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 WO 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 (2 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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF AKR1C3 3153/4885AKR1C2 3173/4885AKR1C1 3522/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF AKR1C3 3153/4885AKR1C2 3173/4885AKR1C1 3522/4885

“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.