SCHEMBL19429003

SCHEMBL19429003

CN(C)CN(C)Cc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR3 P46089 1/20 0.42
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
TSHR P16473 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
PYCR1 P32322 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL19429087 0.91 GPR3 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19429051 0.87 CA2 (0.39) ALDH1A1TSHRLMNAPIM1PIM2
SCHEMBL19429012 0.87 CA2 (0.39) ALDH1A1TSHRLMNAPIM1PIM2
SCHEMBL19429005 0.81 POLB (0.34) ALDH1A1HPGDMAOAMAOBCYP2D6
SCHEMBL24298892 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19429090 0.78 CYP2D6 (0.38) MAOBCYP2D6HTR2ATSHRNPSR1
SCHEMBL13921921 0.76 KMT2A (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2MAOA
SCHEMBL19429002 0.76 CYP2D6 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19239050 0.76 CA2 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL12436066 0.75 GPR3 (0.54) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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 ALDH1A1 453/4885MAPT 2496/4885HPGD 3272/4885

“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.