SCHEMBL20824240

SCHEMBL20824240

C=C(N)/C=c1\c(=C)sc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.39
▸ LIMK1 P53667 2/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MCL1 Q07820 1/20 0.34
▸ OGG1 O15527 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ GLA P06280 1/20 0.31

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
SCHEMBL21140183 0.79 GPR3 (0.35) GPR3LIMK1IKBKBKDM4EALDH1A1
SCHEMBL24078454 0.74 GPR3 (0.44) GPR3LIMK1KDM4EALDH1A1ALOX15
SCHEMBL19880545 0.73 GPR3 (0.43) GPR3LIMK1IKBKBKDM4EALDH1A1
SCHEMBL23676534 0.71 GPR3 (0.38) GPR3LIMK1IKBKBKDM4EALDH1A1
SCHEMBL17507922 0.69 GPR3 (0.35) GPR3KDM4EALDH1A1ALOX15MAPT
SCHEMBL20934096 0.66 GPR3 (0.55) GPR3LIMK1IKBKBKDM4EALDH1A1
SCHEMBL21532658 0.66 GPR3 (0.35) GPR3LIMK1IKBKBKDM4EALDH1A1
SCHEMBL20824333 0.66 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL19976130 0.64 KDM4E (0.39) GPR3KDM4EALDH1A1ALOX15MCL1
SCHEMBL23544032 0.63 GPR3 (0.36) GPR3KDM4EALDH1A1ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10424740-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-09-24 — — US disclosed
US-20190088879-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-03-21 — — 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-20190088879-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE PIEZO1, LEF1, L1CAM GPR3 1750/4885LIMK1 39/4885IKBKB 4818/4885
US-10424740-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device PIEZO1, LEF1, L1CAM GPR3 1750/4885LIMK1 39/4885IKBKB 4818/4885

“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.

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