SCHEMBL12858718

SCHEMBL12858718

Cc1[nH]c2ncnn2c(=O)c1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALKBH3 Q96Q83 6/20 0.44
ENPP1 P22413 3/20 0.44
KAT8 Q9H7Z6 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDH1 O75874 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
FPR1 P21462 1/20 0.39

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
SCHEMBL2465378 0.85 ALKBH3 (0.41) KDM4EALKBH3ENPP1HPGDPOLB
SCHEMBL2455657 0.85 ENPP1 (0.50) ALKBH3ENPP1ALDH1A1SMN1; SMN2
SCHEMBL20074286 0.80 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDTDP1
SCHEMBL2424398 0.78 KDM4E (0.47) KDM4EALKBH3KAT8ALDH1A1SMN1; SMN2
SCHEMBL2425276 0.76 KDM4E (0.46) KDM4EALKBH3KAT8ALDH1A1SMN1; SMN2
SCHEMBL11714380 0.76 GAA (0.40) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL2464506 0.76 MBOAT4 (0.40) ALKBH3
SCHEMBL20074185 0.72 ALDH1A1 (0.44) KDM4EALKBH3ALDH1A1SMN1; SMN2HPGD
SCHEMBL23335792 0.72 KDM4E (0.76) KDM4EALKBH3ALDH1A1SMN1; SMN2HPGD
SCHEMBL2459450 0.72 ENPP1 (0.47) ALKBH3ENPP1

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
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 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 (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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP KDM4E 4738/4885ALKBH3 4748/4885ENPP1 1719/4885

“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.