SCHEMBL22007111

SCHEMBL22007111

c1ccc2c(N(c3ccc(-c4ccc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5cccc6ccccc56)cc4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ATM Q13315 1/20 0.51
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 2/20 0.51
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HCRTR1 O43613 1/20 0.42
PKM P14618 1/20 0.42
BCHE P06276 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
SCHEMBL13133818 0.95 NPC1 (0.49) NPC1RAB9AMEN1KMT2AATM
SCHEMBL27257858 0.95 NPC1 (0.49) NPC1RAB9AMEN1KMT2AATM
SCHEMBL10315445 0.93 NPC1 (0.47) NPC1RAB9AMEN1KMT2AATM
SCHEMBL10315232 0.91 NPC1 (0.45) NPC1RAB9AMEN1KMT2AATM
SCHEMBL26468243 0.91 NPC1 (0.45) NPC1RAB9AMEN1KMT2AATM
SCHEMBL13133780 0.88 NPC1 (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23667867 0.86 ESR1 (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL12048772 0.86 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23073497 0.85 NPC1 (0.39) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9912890 0.85 NPC1 (0.42) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230284515-A1 POLYCYCLIC AROMATIC DERIVATIVE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME SFC CO., LTD. (KR) 2023-09-07 US disclosed
US-20230284515-A1 POLYCYCLIC AROMATIC DERIVATIVE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME SFC CO., LTD. (KR) 2023-09-07 US disclosed
US-20220149291-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2022-05-12 US disclosed
US-20220102635-A1 ORGANIC LIGHT-EMITTING ELEMENT USING POLYCYCLIC AROMATIC DERIVATIVE COMPOUND SFC CO., LTD. (KR) 2022-03-31 US disclosed
US-11056653-B2 Organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-07-06 US disclosed
US-20210167293-A1 POLYCYCLIC AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME SFC CO., LTD. (KR) 2021-06-03 US disclosed
US-10981938-B2 Polycyclic aromatic compounds and organic electroluminescent devices using the same SFC CO., LTD. (KR) 2021-04-20 US disclosed
EP-3656776-B1 INDOLOCARBAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME SFC CO LTD (KR) 2021-03-10 EP disclosed
US-20200395553-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2020-12-17 US disclosed
US-20200328353-A1 Organic Electroluminescence Device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-10-15 US disclosed
US-20200172558-A1 POLYCYCLIC AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME SFC CO., LTD. (KR) 2020-06-04 US disclosed
EP-3656776-A1 INDOLOCARBAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME SFC Co., Ltd. (KR) 2020-05-27 EP disclosed
US-20200161552-A1 INDOLOCARBAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME SFC CO., LTD. (KR) 2020-05-21 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 (6 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-20200172558-A1 POLYCYCLIC AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME DDC, TYR, DDT NPC1 2993/4885RAB9A 3868/4885MEN1 3166/4885
US-20220102635-A1 ORGANIC LIGHT-EMITTING ELEMENT USING POLYCYCLIC AROMATIC DERIVATIVE COMPOUND TRPA1, TYR, ZKSCAN2 NPC1 2762/4885RAB9A 3446/4885MEN1 3663/4885
US-20230284515-A1 POLYCYCLIC AROMATIC DERIVATIVE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME ARNT, AHR, TYR NPC1 1799/4885RAB9A 4202/4885MEN1 1849/4885
US-20210167293-A1 POLYCYCLIC AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME DDC, TYR, DDT NPC1 2993/4885RAB9A 3868/4885MEN1 3166/4885
US-10981938-B2 Polycyclic aromatic compounds and organic electroluminescent devices using the same DDC, TYR, DDT NPC1 2993/4885RAB9A 3868/4885MEN1 3166/4885
US-20200395553-A1 ORGANIC ELECTROLUMINESCENT DEVICE LEF1, AP2A2, CCNA1 NPC1 2433/4885RAB9A 1783/4885MEN1 1308/4885

“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.