SCHEMBL20061799

SCHEMBL20061799

c1cnc2c(c1)C1c3cc4ccccc4cc3C2c2nccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.34
HSP90AA1 P07900 2/20 0.34
TSHR P16473 2/20 0.34
CASP1 P29466 2/20 0.34
HSP90AB1 P08238 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 4/20 0.33
CYP3A4 P08684 3/20 0.33
RAB9A P51151 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.33
CYP2D6 P10635 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL20061805 0.91 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL20061788 0.89 PDPK1 (0.38) ALDH1A1MAPTSMN1; SMN2KDM4ETP53
SCHEMBL20061814 0.87 NOS3 (0.34) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL20061822 0.85 KDM4E (0.34) KDM4E
SCHEMBL20061817 0.85
SCHEMBL20061806 0.82 KDM4E (0.37) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL20061787 0.81 KDM4E (0.36) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL20061816 0.78 NOS3 (0.37) ALDH1A1MAPTSMN1; SMN2KDM4ETP53
SCHEMBL20061819 0.78 KDM4E (0.34) KDM4E
SCHEMBL20061798 0.78 APAF1 (0.32) ALDH1A1HTTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11239432-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-02-01 US disclosed
US-20180108848-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-04-19 US disclosed
US-20180108848-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-04-19 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 (2 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-11239432-B2 Organic electroluminescent materials and devices OCIAD1, OSBP, OCIAD2 ALDH1A1 768/4885MAPT 1935/4885SMN1; SMN2 4818/4885
US-20180108848-A1 Organic electroluminescent materials and devices OSBP, OSBP2, OCIAD2 ALDH1A1 1481/4885MAPT 1768/4885SMN1; SMN2 4588/4885

“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.