SCHEMBL21971404

SCHEMBL21971404

COc1cc(OC)c(C2N(C)c3ccccc3N2C)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.58
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP4B1 P13584 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP3A5 P20815 1/20 0.39

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
SCHEMBL21972251 0.87 LMNA (0.49) LMNAMEN1KMT2AGAAKDM4E
SCHEMBL20739825 0.85 LMNA (0.54) LMNAMEN1KMT2AGAAKDM4E
SCHEMBL21970634 0.84 LMNA (0.59) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL20739823 0.82 LMNA (0.50) LMNAMEN1KMT2AGAAKDM4E
SCHEMBL21972258 0.79 LMNA (0.46) LMNAMEN1KMT2AKDM4EHTT
SCHEMBL21972266 0.77 LMNA (0.49) LMNAMEN1KMT2AGAAKDM4E
SCHEMBL21972257 0.77 LMNA (0.49) LMNAMEN1KMT2AGAAKDM4E
SCHEMBL21971395 0.76 LMNA (0.54) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL21972245 0.75 LMNA (0.53) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL21891263 0.73 PDGFRB (0.58) LMNAMEN1KMT2AMAPTHTT

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 4733/4885MEN1 1897/4885KMT2A 3948/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 LMNA 4570/4885MEN1 1027/4885KMT2A 4008/4885

“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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