SCHEMBL16431833

SCHEMBL16431833

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL17853042 0.94 PIK3CB (0.36) TSHRMAPTKDM4EALDH1A1HPGD
SCHEMBL17954746 0.94 PIK3CB (0.37) TSHRMAPTKDM4EALDH1A1HPGD
SCHEMBL16441449 0.92 PIK3CB (0.36) TSHRMAPTKDM4EALDH1A1HPGD
SCHEMBL16441543 0.91 ALOX5 (0.37) TSHRMAPTKDM4EALDH1A1HPGD
SCHEMBL16441403 0.91 TSHR (0.38) TSHRMAPTKDM4EALDH1A1HPGD
SCHEMBL23154921 0.90 MAPT (0.34) TSHRMAPTKDM4EALDH1A1HPGD
SCHEMBL17853043 0.90 MAPT (0.35) TSHRMAPTKDM4EALDH1A1HPGD
SCHEMBL17703153 0.89 ALOX5 (0.38) TSHRKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL17954751 0.88 ABCG2 (0.38) TSHRMAPTKDM4EALDH1A1HPGD
SCHEMBL16441512 0.88 ALOX5 (0.35) TSHRMAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179069-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2025-06-05 — — US disclosed
EP-3712229-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-09-23 — — EP disclosed
EP-3712229-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-09-23 — — EP disclosed
EP-3027708-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-13 — — EP disclosed
EP-3027708-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-13 — — EP disclosed
US-20160164002-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-09 — — US disclosed
US-20160164002-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-09 — — US disclosed
US-20160164002-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-09 — — US disclosed
EP-3027708-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2016-06-08 — — EP disclosed
WO-2015014435-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-02-05 — — WO disclosed
WO-2015014435-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-02-05 — — 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 (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-20250179069-A1 MATERIALS FOR ELECTRONIC DEVICES EPX, EFNA1, GPX4 TSHR 4390/4885MAPT 3804/4885KDM4E 2527/4885
US-20160164002-A1 MATERIALS FOR ELECTRONIC DEVICES EPX, EFNA1, GPX4 TSHR 4390/4885MAPT 3804/4885KDM4E 2527/4885

“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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