SCHEMBL18419181

SCHEMBL18419181

O=[N+]([O-])c1ccccc1-c1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ EIF4E P06730 1/20 0.41
▸ GUSB P08236 1/20 0.41
▸ F2 P00734 1/20 0.41

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
SCHEMBL18419184 0.95 ALDH1A1 (0.54) ALDH1A1TDP1MEN1KMT2AABCG2
SCHEMBL18419180 0.92 ALDH1A1 (0.66) ALDH1A1TDP1MEN1KMT2AABCG2
SCHEMBL18419182 0.92 ALDH1A1 (0.57) ALDH1A1TDP1MEN1KMT2AABCG2
SCHEMBL18419174 0.86 TDP1 (0.70) ALDH1A1TDP1MEN1KMT2ACRHBP
SCHEMBL16672317 0.84 ALDH1A1 (0.78) ALDH1A1TDP1MEN1KMT2ACRHBP
SCHEMBL18371215 0.83 ALDH1A1 (0.53) ALDH1A1TDP1MEN1KMT2AABCG2
SCHEMBL4142462 0.82 TDP1 (0.75) ALDH1A1TDP1MEN1KMT2ACRHBP
SCHEMBL18419172 0.82 ALDH1A1 (0.75) ALDH1A1TDP1CRHBPCRHR2MAOA
SCHEMBL17177867 0.81 ALDH1A1 (0.85) ALDH1A1TDP1CRHBPCRHR2MAOA
SCHEMBL27844725 0.81 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2AABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10418564-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2019-09-17 — — US disclosed
US-20170033296-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-02 — — US disclosed
US-20170033296-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-02 — — 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-10418564-B2 Materials for organic electroluminescent devices PIEZO1, L1CAM, EFNA1 ALDH1A1 32/4885TDP1 1287/4885MEN1 279/4885
US-20170033296-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, L1CAM, EFNA1 ALDH1A1 32/4885TDP1 1287/4885MEN1 279/4885

“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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