SCHEMBL20624090

SCHEMBL20624090

c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ SMN1; SMN2 Q16637 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 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 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
SCHEMBL20623957 0.95 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL20623639 0.94 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL20623672 0.93 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL20624280 0.93 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL20623960 0.93 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL20623668 0.92 CYP1A2 (0.41) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL20623969 0.92 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL20623928 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ECYP11B1
SCHEMBL20623981 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ECYP11B1
SCHEMBL20624217 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ECYP11B1

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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