SCHEMBL12567697

SCHEMBL12567697

CN(c1ccc(N=O)cc1)c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ CHKA P35790 2/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ PDE5A O76074 2/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ DHFR P00374 1/20 0.32

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
SCHEMBL12060768 0.99 SIGMAR1 (0.37) SIGMAR1ALDH1A1TP53TSHRMAPK1
SCHEMBL12060561 0.94 SIGMAR1 (0.40) SIGMAR1ALDH1A1TP53TSHRMAPK1
SCHEMBL12060557 0.94 ALDH1A1 (0.38) SIGMAR1ALDH1A1TP53TSHRMAPK1
SCHEMBL12060867 0.94 ALDH1A1 (0.38) SIGMAR1ALDH1A1TP53TSHRMAPK1
SCHEMBL12567698 0.93 SIGMAR1 (0.35) SIGMAR1CYP1A1CYP1A2CYP1B1CHKA
SCHEMBL12060769 0.92 SIGMAR1 (0.36) SIGMAR1CYP1A1CYP1A2CYP1B1CHKA
SCHEMBL12060552 0.91 SIGMAR1 (0.43) SIGMAR1ALDH1A1TP53TSHRMAPK1
SCHEMBL12048503 0.91 SIGMAR1 (0.43) SIGMAR1CYP1A1CYP1A2CYP1B1CHKA
SCHEMBL12048509 0.91 SIGMAR1 (0.43) SIGMAR1CYP1A1CYP1A2CYP1B1CHKA
SCHEMBL12048069 0.91 SIGMAR1 (0.43) SIGMAR1CYP1A1CYP1A2CYP1B1CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 — — US disclosed
US-7842404-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-11-30 — — US disclosed
US-7816019-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-10-19 — — US disclosed
US-20090200542-A1 Compounds and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2009-08-13 — — US disclosed
US-20090045721-A1 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2009-02-19 — — 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 (2 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-20090200542-A1 Compounds and Organic Light Emitting Device Using the Same CYBA, LOXL1, OGDH SIGMAR1 3870/4885ALDH1A1 5/4885TP53 4794/4885
US-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME PPOX, CYBA, CRY1 SIGMAR1 3635/4885ALDH1A1 90/4885TP53 3716/4885

“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.

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