SCHEMBL2869307

SCHEMBL2869307

Nc1ccc(-c2ccccc2)c(-c2ccc(Nc3c(-c4ccccc4)ccc4ccccc34)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.46
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
PRKCZ Q05513 1/20 0.39
ALDH1A1 P00352 7/20 0.38
CYP3A4 P08684 5/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
HSD17B10 Q99714 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL4239262 0.90 KDM1A (0.53) KDM1ACDK4CCND1PRKCZALDH1A1
SCHEMBL4232444 0.84 ALDH1A1 (0.42) KDM1AALDH1A1CYP3A4MAPTALOX12
SCHEMBL4979017 0.82 HSD17B10 (0.48) KDM1AALDH1A1CYP3A4MAPTALOX12
SCHEMBL4236618 0.79 ABCG2 (0.46) KDM1AALDH1A1CYP3A4MAPTHTT
SCHEMBL6405547 0.79 ABCG2 (0.48) KDM1AALDH1A1CYP3A4MAPTHTT
SCHEMBL24079294 0.78 CA12 (0.50) CDK4CCND1PRKCZALDH1A1CYP3A4
SCHEMBL19579514 0.78 CA12 (0.50) CDK4CCND1PRKCZALDH1A1CYP3A4
SCHEMBL23780947 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4MAPTCYP1A2HSD17B10
SCHEMBL15400423 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPTHTTCYP1A2
SCHEMBL29830445 0.77 CA12 (0.52) CDK4CCND1PRKCZALDH1A1CYP3A4

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
EP-1791926-B1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(10) LG CHEMICAL LTD (KR) 2016-08-31 EP disclosed
US-7811682-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-10-12 US disclosed
US-7785720-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-08-31 US disclosed
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-12-11 US disclosed
US-20080093983-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM. LTD. (KR) 2008-04-24 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-20080303434-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 KDM1A 2186/4885CDK4 724/4885CCND1 639/4885

“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.