SCHEMBL12060778

SCHEMBL12060778

CN(c1ccc(N=O)cc1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SIGMAR1 Q99720 12/20 0.45
▸ DHFR P00374 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL12060520 0.89 ALDH1A1 (0.43) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL12060552 0.87 SIGMAR1 (0.43) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL12060265 0.86 ALDH1A1 (0.40) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL12060867 0.83 ALDH1A1 (0.38) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL12060557 0.83 ALDH1A1 (0.38) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL12060561 0.83 SIGMAR1 (0.40) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL30776215 0.81 SIGMAR1 (0.52) ALDH1A1SIGMAR1DHFRKDM4EGAA
SCHEMBL1414206 0.81 SIGMAR1 (0.57) ALDH1A1SIGMAR1DHFR
SCHEMBL31548609 0.81 SIGMAR1 (0.41) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL12047903 0.80 SIGMAR1 (0.50) ALDH1A1SIGMAR1DHFRKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071227-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2011-12-06 — — US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 — — US disclosed
US-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 — — US disclosed
US-7892658-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2011-02-22 — — US disclosed
US-7811682-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-10-12 — — US disclosed
US-7799441-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-09-21 — — US disclosed
US-20100065827-A1 COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME LG CHEM, LTD. (KR) 2010-03-18 — — US disclosed
US-20100065828-A1 COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME LG CHEM, LTD. (KR) 2010-03-18 — — US disclosed
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-12-11 — — US disclosed
US-20080303414-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-12-11 — — 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 (5 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-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME PPOX, CYBA, CRY1 ALDH1A1 90/4885TP53 3716/4885TSHR 4651/4885
US-20100065827-A1 COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME VDAC1, PER2, PPOX ALDH1A1 69/4885TP53 4247/4885TSHR 4219/4885
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 ALDH1A1 318/4885TP53 3665/4885TSHR 3910/4885
US-20100065828-A1 COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME VDAC1, PER2, PPOX ALDH1A1 69/4885TP53 4247/4885TSHR 4219/4885
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME OR10J3, USE1, NOTUM ALDH1A1 1288/4885TP53 4715/4885TSHR 4752/4885

“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.

Send feedback