SCHEMBL20172920

SCHEMBL20172920

CC(C)c1ccccc1N(C)c1cccc2c1sc1c(C(F)(F)F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ACP1 P24666 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
RORC P51449 1/20 0.31
HDAC3 O15379 1/20 0.31
CYP2C9 P11712 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SLC6A4 P31645 1/20 0.31
AR P10275 1/20 0.30
KIF11 P52732 1/20 0.30
TRPA1 O75762 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
SCHEMBL21021048 0.90 P2RX7 (0.35) P2RX7NR1H2NR1H3SIGMAR1ACP1
SCHEMBL20172906 0.88 SIGMAR1 (0.33) SIGMAR1KIF11
SCHEMBL20172922 0.86 ACP1 (0.35) ACP1RORCHDAC3CYP2C9HDAC1
SCHEMBL20172918 0.83 HDAC3 (0.33) ACP1HDAC3CYP2C9HDAC1HDAC6
SCHEMBL20172886 0.83 SIGMAR1 (0.34) SIGMAR1
SCHEMBL20172916 0.83 ACP1 (0.33) NR1H2NR1H3ACP1HDAC3CYP2C9
SCHEMBL20172915 0.83 HSD17B1 (0.33) ACP1HDAC3CYP2C9HDAC1HDAC6
SCHEMBL21020479 0.81 ACP1 (0.36) NR1H2NR1H3SIGMAR1ACP1HDAC3
SCHEMBL20172876 0.81 SIGMAR1 (0.35) SIGMAR1
SCHEMBL21020477 0.81 KDM4C (0.36) P2RX7HDAC6

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 P2RX7 964/4885NR1H2 379/4885NR1H3 322/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 P2RX7 2705/4885NR1H2 1574/4885NR1H3 1237/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 P2RX7 964/4885NR1H2 379/4885NR1H3 322/4885

“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.