SCHEMBL9976943

SCHEMBL9976943

c1ccc(-c2nc3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3n2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ SIRT1 Q96EB6 2/20 0.43
▸ PTGER4 P35408 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ CACNG8 Q8WXS5 1/20 0.38
▸ CACNG2 Q9Y698 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL12912527 0.98 SIRT2 (0.43) ESR1ESR2SIRT2SIRT1PTGER4
SCHEMBL12912460 0.96 ESR1 (0.45) ESR1ESR2SIRT2SIRT1PTGER4
SCHEMBL12912504 0.93 SIRT2 (0.40) ESR1ESR2SIRT2SIRT1PTGER4
SCHEMBL12912519 0.93 SIRT2 (0.40) ESR1ESR2SIRT2SIRT1PTGER4
SCHEMBL12912538 0.93 ESR1 (0.44) ESR1ESR2SIRT2SIRT1PTGER4
SCHEMBL12912496 0.93 ESR1 (0.39) ESR1ESR2SIRT2SIRT1PTGER4
SCHEMBL12912522 0.92 ESR1 (0.42) ESR1ESR2SIRT2SIRT1PTGER4
SCHEMBL12912507 0.92 ESR1 (0.42) ESR1ESR2SIRT2SIRT1PTGER4
SCHEMBL12912502 0.92 ESR1 (0.42) ESR1ESR2SIRT2SIRT1PTGER4
SCHEMBL12912443 0.92 ESR1 (0.42) ESR1ESR2SIRT2SIRT1PTGER4

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-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 — — US disclosed
US-8945724-B2 Nitrogen-containing heterocyclic derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-03 — — US disclosed
US-8945724-B2 Nitrogen-containing heterocyclic derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-03 — — US disclosed
EP-2525425-B1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2014-10-15 — — EP disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 — — US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 — — US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 — — US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 — — US disclosed
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — US disclosed
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — 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-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NUDC, TYR, NUDT1 ESR1 563/4885ESR2 1585/4885SIRT2 942/4885

“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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