SCHEMBL20042620

SCHEMBL20042620

c1ccc2c(c1)ccc1c3nccnc3sc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.40
CYP1B1 Q16678 5/20 0.40
HPRT1 P00492 1/20 0.39
CYP3A4 P08684 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
PMP22 Q01453 2/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
LIMK1 P53667 2/20 0.38
CLK1 P49759 2/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2A6 P11509 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 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
SCHEMBL26535733 0.81 CYP3A4 (0.47) CYP1A1CYP1B1HPRT1CYP3A4LMNA
SCHEMBL21030541 0.78 CYP3A4 (0.44) CYP1A1CYP1B1HPRT1CYP3A4LMNA
SCHEMBL25673321 0.76 MAPT (0.46) CYP1A1CYP1B1HPRT1CYP3A4LMNA
SCHEMBL20042614 0.75 CYP3A4 (0.37) HPRT1CYP3A4LMNAMAPTPMP22
SCHEMBL16919867 0.74 LIMK1 (0.42) LIMK1CLK1CDC7DBF4ALDH1A1
SCHEMBL13085236 0.72 HPRT1 (0.57) CYP1A1CYP1B1HPRT1CYP3A4MAPK1
SCHEMBL30154374 0.72 HPRT1 (0.57) CYP1A1CYP1B1HPRT1CYP3A4MAPK1
SCHEMBL28413365 0.72 MAPT (0.46) CYP1A1CYP1B1CYP3A4LMNAMAPT
SCHEMBL31682282 0.72 MAPT (0.46) CYP1A1CYP1B1CYP3A4LMNAMAPT
SCHEMBL15374732 0.72 GPR3 (0.46) LMNAMAPTLIMK1CLK1CDC7

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-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-04-12 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-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, TRPV2 CYP1A1 4095/4885CYP1B1 4700/4885HPRT1 281/4885

“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.