SCHEMBL21020009

SCHEMBL21020009

CCc1ccccc1N(C)c1cccc2c1sc1c(C(C)C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL21020005 0.90 SIGMAR1 (0.33) NPC1SIGMAR1CYP1A2CYP2D6CYP2C19
SCHEMBL21020007 0.86 CYP2D6 (0.38) NPC1SIGMAR1CYP1A2CYP2D6CYP2C19
SCHEMBL20172884 0.82 TP53 (0.36) NPC1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL21020006 0.82 SIGMAR1 (0.35) SIGMAR1CYP1A2MEN1KMT2A
SCHEMBL20172887 0.82 ALDH1A1 (0.35) NPC1CYP1A2CYP2D6CYP2C19
SCHEMBL20172865 0.81 L3MBTL1 (0.40) NPC1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL21020457 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL20172937 0.79 NPC1 (0.36) NPC1CYP1A2CYP2D6CYP2C19
SCHEMBL21021038 0.79 SIGMAR1 (0.33) SIGMAR1
SCHEMBL20172905 0.79 LMNA (0.33) NPC1SIGMAR1CYP1A2CYP2D6CYP2C19

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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 NPC1 1478/4885SIGMAR1 2480/4885CYP1A2 563/4885

“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.