SCHEMBL20172865

SCHEMBL20172865

CCc1ccccc1N(C)c1cccc2c1sc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
PARP14 Q460N5 1/20 0.38
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
GPR3 P46089 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL21020007 0.88 CYP2D6 (0.38) L3MBTL1ALDH1A1RAB9AHPGDMAPT
SCHEMBL20733887 0.87 GPR3 (0.48) L3MBTL1ATMALDH1A1RAB9AHPGD
SCHEMBL20650279 0.84 L3MBTL1 (0.39) L3MBTL1ATMALDH1A1RAB9AHPGD
SCHEMBL20172884 0.84 TP53 (0.36) L3MBTL1ALDH1A1MAPTNPC1ALOX12
SCHEMBL20172887 0.84 ALDH1A1 (0.35) L3MBTL1ALDH1A1RAB9AMAPTNPC1
SCHEMBL20172905 0.83 LMNA (0.33) L3MBTL1ALDH1A1RAB9AHPGDMAPT
SCHEMBL5022689 0.81 GPR3 (0.48) L3MBTL1ATMALDH1A1RAB9AHPGD
SCHEMBL21020009 0.81 NPC1 (0.34) NPC1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL20172937 0.81 NPC1 (0.36) MAPTNPC1LMNACYP1A2CYP2D6
SCHEMBL20172780 0.80 SIGMAR1 (0.45) L3MBTL1ATMMAPTPARP14GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 L3MBTL1 349/4885ATM 2781/4885ALDH1A1 87/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 L3MBTL1 1639/4885ATM 2424/4885ALDH1A1 1103/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 L3MBTL1 349/4885ATM 2781/4885ALDH1A1 87/4885

“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.