SCHEMBL21972244

SCHEMBL21972244

COc1cccc(OC)c1C1Sc2ccccc2N1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 3/20 0.40
▸ BCHE P06276 1/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36

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
SCHEMBL25953955 0.74 RAB9A (0.38) ALDH1A1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL12193903 0.73 MAOA (0.41) ALDH1A1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL21970634 0.73 LMNA (0.59) ALDH1A1HPGDKDM4ELMNADRD2
SCHEMBL30986852 0.73 MAOA (0.41) ALDH1A1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL7441237 0.72 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL19267117 0.72 KDM4E (0.44) ALDH1A1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL15947423 0.71 SMN1; SMN2 (0.35) ALDH1A1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL1754058 0.70 SLC6A2 (0.43) ALDH1A1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11886360 0.69 MAOA (0.37) ALDH1A1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11886347 0.69 KDM4E (0.44) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA

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 ALDH1A1 1147/4885RAB9A 3447/4885SMN1; SMN2 2695/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 ALDH1A1 1076/4885RAB9A 3580/4885SMN1; SMN2 2181/4885

“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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