SCHEMBL20904394

SCHEMBL20904394

c1ccc(-c2cccc(Nc3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL24296625 0.91 KDM4E (0.44) AKR1C3KDM4EATML3MBTL1SIRT2
SCHEMBL19660771 0.89 ATM (0.47) AKR1C3KDM4EATML3MBTL1KMT2A
SCHEMBL21037624 0.89 ATM (0.47) AKR1C3KDM4EATML3MBTL1KMT2A
SCHEMBL17540402 0.89 KMT2A (0.46) AKR1C3KDM4EATML3MBTL1KMT2A
SCHEMBL23371596 0.89 ATM (0.40) AKR1C3KDM4EATML3MBTL1SIRT2
SCHEMBL31419481 0.89 KDM4E (0.53) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL16158252 0.89 KDM4E (0.53) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL15997146 0.88 AKR1C3 (0.40) AKR1C3KDM4EATML3MBTL1SIRT2
SCHEMBL31499136 0.88 AKR1C3 (0.40) AKR1C3KDM4EATML3MBTL1SIRT2
SCHEMBL23660369 0.86 KDM4E (0.41) AKR1C3KDM4EATML3MBTL1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10937967-B2 Amine-based compound and organic light-emitting device including the amine-based compound SAMSUNG DISPLAY CO., LTD. (KR) 2021-03-02 US disclosed
US-20190115543-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE AMINE-BASED COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-18 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-10937967-B2 Amine-based compound and organic light-emitting device including the amine-based compound AOC2, AOC1, SAT1 AKR1C3 3121/4885KDM4E 495/4885ATM 792/4885
US-20190115543-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE AMINE-BASED COMPOUND AOC2, AOC1, SAT1 AKR1C3 3121/4885KDM4E 495/4885ATM 792/4885

“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.