SCHEMBL13438883

SCHEMBL13438883

O=C(Nc1ccc(N2CCN(CCc3ccccn3)CC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.51
DRD2 P14416 10/20 0.51
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13438886 0.86 ALDH1A1 (0.52) MAPTALDH1A1HTTLMNATHRB
SCHEMBL1645742 0.85 MAPT (0.47) HTR1ADRD2MAPTALDH1A1HTT
SCHEMBL1645949 0.84 MAPT (0.49) HTR1ADRD2MAPTALDH1A1HTT
SCHEMBL1648701 0.83 ALDH1A1 (0.50) MAPTALDH1A1HTTLMNATHRB
SCHEMBL1646045 0.83 MAPT (0.58) HTR1AMAPTALDH1A1HTTLMNA
SCHEMBL1645570 0.81 MAPT (0.58) MAPTALDH1A1HTTLMNATHRB
SCHEMBL1644679 0.81 MAPT (0.55) MAPTALDH1A1HTTLMNATHRB
SCHEMBL1645436 0.81 L3MBTL1 (0.49) HTR1ADRD2MAPTALDH1A1HTT
SCHEMBL1645536 0.81 MAPT (0.57) MAPTALDH1A1HTTLMNATHRB
SCHEMBL1645469 0.81 MAPT (0.52) HTR1ADRD2MAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN claimed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN claimed
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 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-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 HTR1A 2971/4885DRD2 3313/4885MAPT 2950/4885

“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.