SCHEMBL22789455

SCHEMBL22789455

Bc1c(-c2ccc(N3CCCCC3)cc2)oc2c(O)c(OC)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ USP8 P40818 1/20 0.41
▸ MCL1 Q07820 3/20 0.40
▸ TERT O14746 1/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GFER P55789 2/20 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
SCHEMBL21668603 0.90 ABCG2 (0.49) MAOAACHEMAPTMEN1KMT2A
SCHEMBL22789207 0.88 ACHE (0.43) MAOAACHEMAPTMEN1KMT2A
SCHEMBL22789251 0.86 TERT (0.44) MAPTUSP8TERTAPPCDK2
SCHEMBL21668602 0.82 ABCG2 (0.47) MAOAACHEMAPTMEN1KMT2A
SCHEMBL22772267 0.77 ALDH1A1 (0.52) MAOAACHEMAPTALDH1A1CYP3A4
SCHEMBL21647174 0.77 ALDH1A1 (0.47) MAOAACHESMN1; SMN2ALDH1A1CYP3A4
SCHEMBL21668590 0.75 CDK2 (0.54) MAPTMEN1KMT2AALDH1A1TERT
SCHEMBL21647185 0.73 USP8 (0.50) MAOAACHEUSP8TERTAPP
SCHEMBL21647180 0.73 TERT (0.62) MAPTUSP8TERTAPPCDK2
SCHEMBL22789466 0.72 APP (0.39) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390755-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF SHAANXI MICOT TECHNOLOGY CO., LTD. (CN) 2020-12-17 — — 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 (1 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-20200390755-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF MAPT, PYGB, SLC6A2 MAOA 75/4885ACHE 9/4885MAPT 1/4885

“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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