SCHEMBL2219630

SCHEMBL2219630

COc1ccc(O[C@@H]2CCN(C(=O)c3cccc(F)c3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
KMT2A Q03164 3/20 0.58
HSD11B1 P28845 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP3A4 P08684 3/20 0.53
USP2 O75604 2/20 0.53
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL2219637 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AHSD11B1SMN1; SMN2CYP3A4
SCHEMBL2219230 0.90 MGLL (0.57) ALDH1A1KMT2AHSD11B1MEN1L3MBTL1
SCHEMBL2220422 0.90 ALDH1A1 (0.52) ALDH1A1HSD11B1SMN1; SMN2LMNA
SCHEMBL2220416 0.90 ALDH1A1 (0.52) ALDH1A1HSD11B1SMN1; SMN2LMNA
SCHEMBL2219227 0.90 MGLL (0.57) ALDH1A1KMT2AHSD11B1MEN1L3MBTL1
SCHEMBL1580394 0.87 HRH1 (0.56) ALDH1A1KMT2AHSD11B1MEN1LMNA
SCHEMBL1581722 0.87 MGLL (0.60) ALDH1A1KMT2AHSD11B1SMN1; SMN2MEN1
SCHEMBL12442701 0.87 GPR183 (0.55) ALDH1A1HSD11B1L3MBTL1LMNA
SCHEMBL1581719 0.87 MGLL (0.60) ALDH1A1KMT2AHSD11B1SMN1; SMN2MEN1
SCHEMBL2218494 0.86 MGLL (0.54) ALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 ALDH1A1 3932/4885KMT2A 4781/4885HSD11B1 3190/4885

“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.