SCHEMBL10047718

SCHEMBL10047718

C#CCNC(=O)c1cc2ccccc2oc1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.68
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 3/20 0.65
NPC1 O15118 3/20 0.64
MEN1 O00255 1/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.63
MAOA P21397 3/20 0.61
TDP1 Q9NUW8 1/20 0.60
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
F12 P00748 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59

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
SCHEMBL15058644 0.85 MAOB (0.73) MAOBKDM4EALDH1A1HSD17B10NPC1
SCHEMBL76133 0.84 MAOB (0.75) MAOBKDM4EALDH1A1HSD17B10NPC1
SCHEMBL14346006 0.82 MAOB (0.76) MAOBKDM4EALDH1A1HSD17B10NPC1
SCHEMBL3040430 0.81 MAOB (0.73) MAOBKDM4EALDH1A1HSD17B10NPC1
SCHEMBL13448131 0.80 MAOB (0.67) MAOBKDM4EALDH1A1HSD17B10NPC1
SCHEMBL3045340 0.80 MAOB (0.67) MAOBKDM4EALDH1A1HSD17B10NPC1
SCHEMBL7511318 0.80 KDM4E (0.73) MAOBKDM4EALDH1A1HSD17B10NPC1
SCHEMBL7208897 0.80 MAOB (0.72) MAOBKDM4EALDH1A1NPC1MAOA
SCHEMBL4390923 0.80 MAOB (1.00) MAOBKDM4EALDH1A1NPC1L3MBTL1
SCHEMBL30214896 0.80 MAOB (1.00) MAOBKDM4EALDH1A1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021139395-A1 HIGH-EFFICIENCY LOW-TOXICITY ANTI-CANCER COMPOUND SYNTHESIZED BY AUTOCATALYSIS IN CELLS AND LIVING BODIES AND SYNTHESIS METHOD FOR ANTI-CANCER COMPOUND 南京师范大学 2021-07-15 WO disclosed
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues UNIVERSITY OF NOTTINGHAM (GB) 2012-04-05 US disclosed
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues UNIVERSITY OF NOTTINGHAM (GB) 2012-04-05 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-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues BTD, URB2, RAET1L MAOB 332/4885KDM4E 2501/4885ALDH1A1 260/4885

“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.