SCHEMBL18958738

SCHEMBL18958738

c1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)cc4)ccc3c3ncccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
METAP2 P50579 2/20 0.34
GRM5 P41594 5/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
MCL1 Q07820 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC4 P56524 1/20 0.32
DHODH Q02127 1/20 0.32
PTGER4 P35408 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL17349328 1.00 NPY5R (0.38) NPY5RKDM4EATML3MBTL1METAP2
SCHEMBL18958472 0.97 KDM4E (0.38) NPY5RKDM4EATML3MBTL1METAP2
SCHEMBL18958457 0.97 KDM4E (0.38) NPY5RKDM4EATML3MBTL1METAP2
SCHEMBL18958390 0.97 KDM4E (0.40) NPY5RKDM4EATML3MBTL1METAP2
SCHEMBL18958401 0.97 KDM4E (0.40) NPY5RKDM4EATML3MBTL1METAP2
SCHEMBL23774168 0.96 KDM4E (0.38) NPY5RKDM4EATML3MBTL1METAP2
SCHEMBL18958726 0.95 KDM4E (0.38) NPY5RKDM4EATML3MBTL1METAP2
SCHEMBL17349348 0.95 KDM4E (0.38) NPY5RKDM4EATML3MBTL1METAP2
SCHEMBL17349178 0.95 KDM4E (0.40) NPY5RKDM4EATML3MBTL1METAP2
SCHEMBL17349253 0.95 KDM4E (0.40) NPY5RKDM4EATML3MBTL1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210257558-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO., LTD (KR) 2021-08-19 US disclosed
US-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO LTD (KR) 2021-03-11 US disclosed
US-20200194687-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO LTD (KR) 2020-06-18 US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 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 (4 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-20200194687-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 NPY5R 4560/4885KDM4E 148/4885ATM 3430/4885
US-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 NPY5R 4560/4885KDM4E 148/4885ATM 3430/4885
US-20210257558-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 NPY5R 4560/4885KDM4E 148/4885ATM 3430/4885
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, OR51E2, ETV6 NPY5R 4560/4885KDM4E 148/4885ATM 3430/4885

“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.