SCHEMBL16613197

SCHEMBL16613197

COc1cc2nc(-c3ccccc3)n3c4ccccc4c(c1)c23

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
VDR P11473 1/20 0.41
CYP2B6 P20813 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL17945262 0.83 KDM4E (0.50) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL16613198 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL17945311 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL19996914 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL17945249 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL17945914 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL21710637 0.73 KDM4E (0.50) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL23959783 0.73 CYP1A2 (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL21710693 0.72 MAPT (0.51) ALDH1A1KDM4EHPGDCYP1A2MAPT
SCHEMBL17871209 0.70 METAP2 (0.47) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2

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-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
WO-2015046986-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME 주식회사 엘지화학 2015-04-02 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-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 ALDH1A1 252/4885KDM4E 1127/4885HPGD 1235/4885

“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.