SCHEMBL22173199

SCHEMBL22173199

c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc87)c6)cc5)c4)c3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
FAAH O00519 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
MGLL Q99685 1/20 0.40
HDAC4 P56524 1/20 0.40
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
KMT2A Q03164 2/20 0.38
IL1R1 P14778 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
PDE10A Q9Y233 1/20 0.36
EDNRB P24530 1/20 0.35

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
SCHEMBL22173019 1.00 ATM (0.53) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL22173196 1.00 ATM (0.53) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL17038449 0.98 ATM (0.55) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL26750950 0.98 ATM (0.55) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL16409583 0.98 ATM (0.55) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL17038443 0.97 L3MBTL1 (0.53) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL16409611 0.97 ATM (0.57) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL16409596 0.97 ATM (0.57) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL24837328 0.95 L3MBTL1 (0.56) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL22173325 0.95 L3MBTL1 (0.56) ATML3MBTL1KDM4EALDH1A1HTT

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-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO LTD (KR) 2023-05-04 US disclosed
US-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO LTD (KR) 2023-05-04 US disclosed
US-11542252-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-01-03 US disclosed
US-20200207739-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 US disclosed
US-20200212314-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 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 (3 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-11542252-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 ATM 1887/4885L3MBTL1 175/4885KDM4E 3931/4885
US-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 ATM 1887/4885L3MBTL1 175/4885KDM4E 3931/4885
US-20200207739-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 ATM 1887/4885L3MBTL1 175/4885KDM4E 3931/4885

“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.