SCHEMBL1312260

SCHEMBL1312260

O=C(NNc1cccc2c1ncc1cccn12)c1ccc2[nH]ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
NFATC1 O95644 1/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
CHRNA7 P36544 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
AURKA O14965 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM1A O60341 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL1310609 0.77 HTT (0.45) HDAC3HDAC1HDAC6
SCHEMBL1147764 0.75 CTNNB1 (0.40) ABL1SMYD3MAOBMAOACHRNA7
SCHEMBL1312610 0.72 CHRNA7 (0.38) SMYD3CHRNA7AURKAHDAC3HDAC1
SCHEMBL1147252 0.67 F10 (0.41) SMYD3CHRNA7HDAC3HDAC1HDAC6
SCHEMBL6632657 0.62 NPC1 (0.58) NFATC1MAOBMAOAHDAC3HDAC1
SCHEMBL1991906 0.62 HDAC6 (0.67) SMYD3MAOBMAOAHDAC3HDAC1
SCHEMBL4438920 0.61 MAOA (0.57) SMYD3NFATC1MAOBMAOAHDAC3
SCHEMBL3211677 0.61 F2 (0.57) SMYD3NFATC1MAOBMAOAHDAC3
SCHEMBL12821521 0.60 NPC1 (0.74) ABL1NFATC1MAOBMAOACTNNB1
SCHEMBL8770538 0.60 MAOA (0.71) ABL1NFATC1MAOBMAOA

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-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-11-10 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-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG ABL1 4301/4885SMYD3 3348/4885NFATC1 3524/4885

“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.