SCHEMBL19035954

SCHEMBL19035954

c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
TSPO P30536 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER4 P35408 1/20 0.30
RAC2 P15153 1/20 0.30
RAC3 P60763 1/20 0.30
CDC42 P60953 1/20 0.30
RAC1 P63000 1/20 0.30

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
SCHEMBL22145875 0.93 NPY5R (0.31) EDNRBEDNRATSPO
SCHEMBL19036000 0.92 EDNRB (0.32) EDNRBEDNRATSPOKDM4EATM
SCHEMBL19035952 0.91 EDNRB (0.31) EDNRBEDNRATSPOKDM4EATM
SCHEMBL21965478 0.90 EDNRB (0.31) EDNRBEDNRA
SCHEMBL22145817 0.90 EDNRB (0.30) EDNRBEDNRA
SCHEMBL22146151 0.90 KDM4E (0.35) EDNRBEDNRAKDM4EATML3MBTL1
SCHEMBL22145876 0.89 TSPO (0.32) TSPO
SCHEMBL19035958 0.89 ALDH1A1 (0.37) KDM4EATML3MBTL1
SCHEMBL20208730 0.89 KDM4E (0.33) KDM4EATML3MBTL1PTGER4
SCHEMBL19009421 0.88 L3MBTL1 (0.42) EDNRBEDNRATSPOKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336772-B2 Bicarbazole compound, material for organic light-emitting device including bicarbazole compound, and organic light-emitting device including bicarbazole compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-02 US disclosed
US-20170183360-A1 BICARBAZOLE COMPOUND, MATERIAL FOR ORGANIC LIGHT-EMITTING DEVICE INCLUDING BICARBAZOLE COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING BICARBAZOLE COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-29 US disclosed
US-20170183360-A1 BICARBAZOLE COMPOUND, MATERIAL FOR ORGANIC LIGHT-EMITTING DEVICE INCLUDING BICARBAZOLE COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING BICARBAZOLE COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-29 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-10336772-B2 Bicarbazole compound, material for organic light-emitting device including bicarbazole compound, and organic light-emitting device including bicarbazole compound BRD1, CYP1B1, ARL1 EDNRB 3370/4885EDNRA 2966/4885TSPO 3976/4885
US-20170183360-A1 BICARBAZOLE COMPOUND, MATERIAL FOR ORGANIC LIGHT-EMITTING DEVICE INCLUDING BICARBAZOLE COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING BICARBAZOLE COMPOUND BRD1, CYP1B1, ARL1 EDNRB 3370/4885EDNRA 2966/4885TSPO 3976/4885

“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.