SCHEMBL13629815

SCHEMBL13629815

C=C1c2ccccc2N(C(C)C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
PLIN1 O60240 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PLIN5 Q00G26 1/20 0.34
ABHD5 Q8WTS1 1/20 0.34
NR1H2 P55055 5/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 2/20 0.33
SMPD1 P17405 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TTR P02766 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
SCHEMBL13338333 0.84 KDM4E (0.38) SMN1; SMN2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL30396025 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNACYP2D6CYP2C9
SCHEMBL5000976 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNACYP2D6CYP2C9
SCHEMBL22796530 0.78 MAPT (0.32) SMN1; SMN2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL15723747 0.75 IDO1 (0.34) SMN1; SMN2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL5175484 0.75 TTR (0.50) NR1H3MAPTKDM4EALDH1A1LMNA
SCHEMBL14726017 0.74 TDP1 (0.47) SMN1; SMN2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL13338393 0.71 ELANE (0.48) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL4199767 0.71 CES1 (0.57) MAPTKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL19932851 0.70 NR1H3 (0.33) NR1H3ALDH1A1NR1H2NPSR1TTR

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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, ORMDL3, CHRM2 NR1H3 510/4885SMN1; SMN2 3200/4885MAPT 3474/4885

“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.