SCHEMBL21971403

SCHEMBL21971403

COc1ccc(N(C)C)cc1C1N(C)c2ccccc2N1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.63
▸ PDGFRB P09619 1/20 0.54
▸ NQO2 P16083 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTR1A P08908 4/20 0.39
▸ NTSR1 P30989 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL21971009 0.88 LMNA (0.63) LMNAPDGFRBNQO2SMN1; SMN2MAPT
SCHEMBL21971003 0.80 PDGFRB (0.58) LMNAPDGFRBSMN1; SMN2MAPTNPSR1
SCHEMBL20739825 0.79 LMNA (0.54) LMNAPDGFRBNQO2SMN1; SMN2MAPT
SCHEMBL12978570 0.77 LMNA (0.69) LMNAPDGFRBMAPTKDM4EALDH1A1
SCHEMBL29414076 0.77 LMNA (0.69) LMNAPDGFRBMAPTKDM4EALDH1A1
SCHEMBL21971400 0.77 PDGFRB (0.58) LMNAPDGFRBMAPTNPSR1L3MBTL1
SCHEMBL21970999 0.75 LMNA (0.56) LMNAPDGFRBMAPTNPSR1L3MBTL1
SCHEMBL21972264 0.75 LMNA (0.53) LMNAPDGFRBSMN1; SMN2MAPTNPSR1
SCHEMBL21972257 0.74 LMNA (0.49) LMNAPDGFRBNQO2SMN1; SMN2MAPT
SCHEMBL21972266 0.74 LMNA (0.49) LMNAPDGFRBNQO2SMN1; SMN2MAPT

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 4733/4885PDGFRB 2517/4885NQO2 1371/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 LMNA 4570/4885PDGFRB 2499/4885NQO2 1289/4885

“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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