SCHEMBL5336810

SCHEMBL5336810

O=C(CN1CCNCC1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ GLA P06280 1/20 0.74
▸ LMNA P02545 5/20 0.73
▸ HPGD P15428 4/20 0.73
▸ GAA P10253 2/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ MAPT P10636 3/20 0.71
▸ LTA4H P09960 2/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ TSHR P16473 1/20 0.63
▸ KCNA5 P22460 3/20 0.56
▸ RNF4 P78317 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ RAB9A P51151 1/20 0.56

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
SCHEMBL5662678 0.95 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL793647 0.87 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5334244 0.86 ALDH1A1 (0.97) ALDH1A1MEN1KMT2AGLALMNA
Hydrochloric Acid SCHEMBL210978 0.86 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL5663534 0.86 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL5336327 0.84 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL5663066 0.84 LMNA (1.00) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL7288853 0.84 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL5660490 0.83 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL5658980 0.82 LMNA (0.77) ALDH1A1MEN1KMT2AGLALMNA

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
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 — — WO disclosed
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 — — 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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S ALDH1A1 1337/4885MEN1 4385/4885KMT2A 1929/4885

“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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