SCHEMBL20569360

SCHEMBL20569360

O=[N+]([O-])c1ccccc1-c1cc2c3ccccc3c3cccc1n32

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 1/20 0.43
▸ S100A4 P26447 2/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPRT1 P00492 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GUSB P08236 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ C1R P00736 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL17029044 0.90 TDP1 (0.44) TDP1ALDH1A1LMNAS100A4PTPRC
SCHEMBL17029060 0.82 ALDH1A1 (0.46) TDP1ALDH1A1LMNAPOLBMAPT
SCHEMBL26528548 0.81 TDP1 (0.42) TDP1ALDH1A1LMNAS100A4PTPRC
SCHEMBL17029057 0.81 ALDH1A1 (0.45) TDP1ALDH1A1LMNAPOLBMAPT
SCHEMBL31722551 0.78 TDP1 (0.42) TDP1ALDH1A1LMNAS100A4PTPRC
SCHEMBL17029039 0.78 ALDH1A1 (0.45) TDP1ALDH1A1LMNAPOLBMAPT
SCHEMBL15055546 0.78 TDP1 (0.67) TDP1ALDH1A1LMNAS100A4PTPRC
SCHEMBL19725228 0.78 ALDH1A1 (0.51) TDP1ALDH1A1LMNAPOLBMAPT
SCHEMBL24161835 0.76 ALDH1A1 (0.46) TDP1ALDH1A1LMNAS100A4PTPRC
SCHEMBL16050101 0.76 ALDH1A1 (0.43) TDP1ALDH1A1LMNAPOLBMAPT

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
US-11535619-B2 Hexacyclic heteroaromatic compounds for electronic devices MERCK PATENT GMBH (DE) 2022-12-27 — — US disclosed
EP-3630764-B1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR USE IN ELEKTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-08-18 — — EP disclosed
US-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-28 — — US disclosed
EP-3630764-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-04-08 — — EP disclosed
WO-2018215318-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-11-29 — — 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-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2J2, CYP2D6 TDP1 2395/4885ALDH1A1 647/4885LMNA 4443/4885
US-11535619-B2 Hexacyclic heteroaromatic compounds for electronic devices ETV6, CYP2J2, CYP2D6 TDP1 2395/4885ALDH1A1 647/4885LMNA 4443/4885

“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