SCHEMBL20616848

SCHEMBL20616848

N#Cc1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CTSK P43235 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PPARG P37231 3/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ REN P00797 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ ELANE P08246 3/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL22822352 0.93 RXRA (0.35) ALDH1A1LMNANPSR1CTSKKDM4E
SCHEMBL21547116 0.90 MAT2A (0.36) ALDH1A1LMNANPSR1CTSKKDM4E
SCHEMBL20616850 0.89 KIF11 (0.46) ALDH1A1LMNANPSR1CTSKKDM4E
SCHEMBL21546635 0.88 KDM4E (0.39) ALDH1A1LMNANPSR1KDM4EATM
SCHEMBL20611896 0.86 KIF11 (0.34) CTSKKDM4EATML3MBTL1PPARG
SCHEMBL24510032 0.86 ALDH1A1 (0.42) ALDH1A1LMNANPSR1KDM4EATM
SCHEMBL21414266 0.86 KDM4E (0.41) KDM4EATML3MBTL1
SCHEMBL20617097 0.85 RXRA (0.38) ALDH1A1LMNANPSR1CTSKKDM4E
SCHEMBL21429449 0.85 ALDH1A1 (0.40) ALDH1A1LMNANPSR1KDM4EATM
SCHEMBL24510033 0.85 ALDH1A1 (0.42) ALDH1A1LMNANPSR1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 — — 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 (1 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-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, ORAI3 ALDH1A1 1509/4885LMNA 4467/4885NPSR1 2265/4885

“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.

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