SCHEMBL21972245

SCHEMBL21972245

COc1cccc(C)c1C1N(C)c2ccccc2N1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ HTR2A P28223 3/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL21970634 0.90 LMNA (0.59) LMNADRD2DRD3KDM4ECA12
SCHEMBL21971000 0.80 LMNA (0.49) LMNADRD2DRD3KDM4ECA12
SCHEMBL21971395 0.78 LMNA (0.54) LMNADRD2DRD3KDM4ECA12
SCHEMBL21972257 0.76 LMNA (0.49) LMNADRD2DRD3KDM4EHTR1A
SCHEMBL12978570 0.75 LMNA (0.69) LMNADRD2DRD3HSD11B1KDM4E
SCHEMBL29414076 0.75 LMNA (0.69) LMNADRD2DRD3HSD11B1KDM4E
SCHEMBL21971404 0.75 LMNA (0.58) LMNADRD2DRD3KDM4ECA12
SCHEMBL21971407 0.73 KDM4E (0.40) LMNAKDM4EHTR1AALDH1A1MAPT
SCHEMBL21971408 0.73 PDGFRB (0.47) LMNAHTR2AKDM4ECA2ALDH1A1
SCHEMBL20739825 0.71 LMNA (0.54) LMNADRD2DRD3KDM4EHTR1A

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-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

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 4733/4885HTR2A 3707/4885HTR7 239/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 LMNA 4570/4885HTR2A 3499/4885HTR7 240/4885

“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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