SCHEMBL19429005

SCHEMBL19429005

CN(C)Cc1ccc2c(c1)sc1cccc(CN(C)CN(C)C)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CA2 P00918 1/20 0.33
ILK Q13418 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
F10 P00742 1/20 0.31
NOS1 P29475 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
HPGD P15428 1/20 0.30
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
ADRA2A P08913 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
SCHEMBL19429090 0.85 CYP2D6 (0.38) POLBCA2ILKCYP2D6CYP1A2
SCHEMBL19429002 0.84 CYP2D6 (0.44) CYP2D6CYP1A2CYP2C19MAOAMAOB
SCHEMBL19429003 0.81 ALDH1A1 (0.44) POLBCYP2D6MAOAMAOBMEN1
SCHEMBL19429012 0.80 CA2 (0.39) CA2ILKTAAR1F10SLC6A4
SCHEMBL19429051 0.80 CA2 (0.39) CA2ILKTAAR1F10SLC6A4
SCHEMBL19429017 0.74 CYP2D6 (0.38) POLBCA2CYP2D6CYP1A2CYP2C19
SCHEMBL19429318 0.73 CYP2D6 (0.35) CYP2D6CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL19239050 0.73 CA2 (0.44) POLBCA2ILKTAAR1F10
SCHEMBL19429087 0.72 GPR3 (0.42) CYP2D6CYP1A2MAOAMAOBHPGD
SCHEMBL20411980 0.72 RAB9A (0.37) POLBCYP1A2MEN1NPC1KMT2A

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-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-10-05 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-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 POLB 1937/4885CA2 1298/4885ILK 333/4885

“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.