SCHEMBL5728586

SCHEMBL5728586

CCCCN=Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPA1 O75762 4/20 0.44
FAAH O00519 9/20 0.44
ENPP2 Q13822 1/20 0.42
CYP1A2 P05177 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MPO P05164 1/20 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
SCHEMBL5728585 1.00 KMT2A (0.52) KMT2AALDH1A1HPGDL3MBTL1TRPA1
SCHEMBL5680680 0.90 ALDH1A1 (0.61) KMT2AALDH1A1HPGD
SCHEMBL5680683 0.90 ALDH1A1 (0.61) KMT2AALDH1A1HPGD
SCHEMBL20824903 0.86 ALDH1A1 (0.68) KMT2AALDH1A1HPGD
SCHEMBL20417359 0.86 ALDH1A1 (0.57) KMT2AALDH1A1HPGDCYP1A2
SCHEMBL19439614 0.83 GRIN2D (0.47) KMT2AALDH1A1CYP1A2
SCHEMBL14196484 0.82 KMT2A (0.53) KMT2AALDH1A1L3MBTL1
SCHEMBL21975288 0.82 ALDH1A1 (0.53) KMT2AALDH1A1HPGD
SCHEMBL9810599 0.82 ALDH1A1 (0.57) KMT2AALDH1A1ENPP2CYP1A2
SCHEMBL9810590 0.82 ALDH1A1 (0.57) KMT2AALDH1A1ENPP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 KMT2A 2864/4885ALDH1A1 1452/4885HPGD 77/4885

“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.