SCHEMBL20623639

SCHEMBL20623639

c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 3/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 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
SCHEMBL20624253 0.95 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20624090 0.94 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20624103 0.93 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20623970 0.91 GSTP1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20623678 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20623633 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20624076 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20623672 0.90 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20623960 0.90 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20623957 0.90 ALDH1A1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190006598-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 — — 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-20190006598-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, L1CAM, TMEM109 MEN1 587/4885KMT2A 2181/4885ALDH1A1 102/4885

“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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