SCHEMBL21971409

SCHEMBL21971409

CN1c2ccccc2N(C)C1c1ccccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ GPR3 P46089 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ ACHE P22303 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL30572834 0.73 ALDH1A1 (0.59) LMNAALDH1A1GPR3KDM4EGAA
SCHEMBL546098 0.73 ALDH1A1 (0.59) LMNAALDH1A1GPR3KDM4EGAA
SCHEMBL15454287 0.70 ALDH1A1 (0.39) LMNAALDH1A1GPR3KDM4EGAA
SCHEMBL12061347 0.70 ALKBH5 (0.40) LMNAALDH1A1GPR3KDM4EATM
SCHEMBL2500446 0.69 KDM4E (0.50) LMNAALDH1A1GPR3KDM4EGAA
SCHEMBL14557135 0.69 ALDH1A1 (0.55) LMNAALDH1A1GPR3KDM4EATM
SCHEMBL16723366 0.69 ALDH1A1 (0.43) LMNAALDH1A1GPR3KDM4EGAA
SCHEMBL782631 0.69 ALDH1A1 (0.50) ALDH1A1GPR3KDM4EATML3MBTL1
SCHEMBL10029971 0.69 ALDH1A1 (0.50) LMNAALDH1A1GPR3KDM4EGAA
SCHEMBL6552455 0.69 TSHR (0.53) LMNAALDH1A1GPR3KDM4EATM

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 4733/4885ALDH1A1 1147/4885GPR3 173/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 LMNA 4570/4885ALDH1A1 1076/4885GPR3 172/4885

“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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