SCHEMBL21970634

SCHEMBL21970634

COc1cccc(OC)c1C1N(C)c2ccccc2N1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ DRD2 P14416 3/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MGLL Q99685 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40

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
SCHEMBL21972245 0.90 LMNA (0.53) LMNADRD2DRD3CA12CA1
SCHEMBL21971000 0.85 LMNA (0.49) LMNADRD2DRD3CA12CA1
SCHEMBL21971395 0.84 LMNA (0.54) LMNADRD2DRD3CA12CA1
SCHEMBL21971404 0.84 LMNA (0.58) LMNADRD2DRD3CA12CA1
SCHEMBL12978570 0.81 LMNA (0.69) LMNADRD2DRD3CA12CA1
SCHEMBL29414076 0.81 LMNA (0.69) LMNADRD2DRD3CA12CA1
SCHEMBL20739825 0.80 LMNA (0.54) LMNADRD2DRD3KDM4EMAPT
SCHEMBL21970635 0.77 HIF1A (0.47) LMNADRD2DRD3CA12CA1
SCHEMBL21970999 0.75 LMNA (0.56) LMNADRD2DRD3KDM4EMAPT
SCHEMBL20637698 0.74 KDM4E (0.47) LMNAKDM4EMGLLMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336852-B Non-fullerene electron transport material and synthetic method and application thereof 江苏大学 2022-03-22 — — CN claimed
CN-109336852-A A kind of non-fullerene electron transport material and its preparation method and use 江苏大学 2019-02-15 — — CN claimed
CN-109336852-B Non-fullerene electron transport material and synthetic method and application thereof 江苏大学 2022-03-22 — — CN disclosed
US-11046655-B2 Compound and method for producing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 — — US disclosed
US-20200140394-A1 NOVEL COMPOUND AND METHOD FOR PRODUCING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-07 — — US disclosed
CN-109336852-A A kind of non-fullerene electron transport material and its preparation method and use 江苏大学 2019-02-15 — — CN 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-20200140394-A1 NOVEL COMPOUND AND METHOD FOR PRODUCING SAME CBR3, NR2E3, NR5A2 LMNA 4733/4885DRD2 341/4885DRD3 88/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 LMNA 4570/4885DRD2 260/4885DRD3 67/4885

“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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