SCHEMBL21396873

SCHEMBL21396873

N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2cccc(-n3c4ccccc4c4cccnc43)c2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B2 P19099 1/20 0.36
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
FEN1 P39748 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
AR P10275 2/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
KDM4D Q6B0I6 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
SCHEMBL21396607 0.98 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19CYP11B2RECQL
SCHEMBL21378010 0.94 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21396833 0.94 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21396868 0.93 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19CYP11B2SMN1; SMN2
SCHEMBL21396583 0.93 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19CYP11B2SMN1; SMN2
SCHEMBL21396582 0.92 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2RECQL
SCHEMBL21397114 0.89 GABRA1 (0.34) ALDH1A1TSHRCYP2C19CYP11B2RECQL
SCHEMBL21378066 0.88 CYP11B2 (0.35) ALDH1A1CYP11B2RECQLSMN1; SMN2KDM4E
SCHEMBL21377993 0.87 KDM4E (0.42) ALDH1A1CYP11B2SMN1; SMN2KDM4ELMNA
SCHEMBL21397144 0.86 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2KDM4E

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 ALDH1A1 242/4885TSHR 4805/4885CYP2C19 795/4885

“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.