SCHEMBL21969636

SCHEMBL21969636

CNc1cccc(N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ AR P10275 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL26032964 0.87 TSHR (0.39) TSHRALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL22169971 0.83 ALDH1A1 (0.58) TSHRALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL29595268 0.81 MAPT (0.62) TSHRALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL16890463 0.81 MAPT (0.62) TSHRALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL24400123 0.79 MAPT (0.60) TSHRALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL1268756 0.78 ALDH1A1 (0.50) TSHRALDH1A1MAPTKDM4EKDM1A
SCHEMBL31726567 0.78 ALDH1A1 (0.50) TSHRALDH1A1MAPTKDM4EKDM1A
SCHEMBL31657712 0.78 ALDH1A1 (0.55) TSHRALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL24119727 0.78 ALDH1A1 (0.52) TSHRALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL24119793 0.78 MAPT (0.58) TSHRALDH1A1L3MBTL1MAPTKDM4E

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-20200144503-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-07 — — 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-20200144503-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CTCF, SLC18A1, DCX TSHR 3216/4885ALDH1A1 1677/4885L3MBTL1 762/4885

“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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