SCHEMBL13438993

SCHEMBL13438993

O=C(Nc1ccc(N2CCN(CCc3ccco3)CC2)nc1)C(=O)c1c(-c2ccccc2)cc2ccccn12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
WNT3A P56704 1/20 0.38
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SLC27A1 Q6PCB7 3/20 0.36
DGAT1 O75907 3/20 0.35

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
SCHEMBL13438882 0.94 MAPT (0.46) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL1645949 0.88 MAPT (0.49) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL13438987 0.84 HTT (0.41) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL13438885 0.83 MAPT (0.46) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL1645660 0.83 ALDH1A1 (0.48) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL13438880 0.82 ALDH1A1 (0.51) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL1644702 0.78 MAPT (0.52) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL1646239 0.76 ALDH1A1 (0.53) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL13438883 0.76 HTR1A (0.51) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL13462594 0.75 SMN1; SMN2 (0.48) MAPTALDH1A1HTTLMNAL3MBTL1

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-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 MAPT 2950/4885ALDH1A1 318/4885HTT 3347/4885

“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.