SCHEMBL1608165

SCHEMBL1608165

O=C(c1sc2cc(O)c(O)cc2c1Cl)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.62
HSP90AA1 P07900 2/20 0.48
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
GPR35 Q9HC97 1/20 0.42
PHGDH O43175 1/20 0.42
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL1608247 0.88 HPGD (0.55) HPGDHSP90AA1ALDH1A1LMNARECQL
SCHEMBL1609283 0.86 GPR35 (0.56) HPGDALDH1A1LMNAMAPTMEN1
SCHEMBL1608941 0.83 HPGD (0.58) HPGDALDH1A1LMNARECQLMAPT
SCHEMBL1609326 0.83 ALDH1A1 (0.46) HPGDHSP90AA1ALDH1A1LMNARECQL
SCHEMBL1609428 0.81 HPGD (0.45) HPGDHSP90AA1LMNAMAPTSMN1; SMN2
SCHEMBL14246728 0.80 ALDH1A1 (0.71) HPGDALDH1A1LMNARECQLMAPT
SCHEMBL1609107 0.79 TSHR (0.46) HPGDALDH1A1LMNAMAPTCYP1A2
SCHEMBL1608153 0.77 HPGD (0.47) HPGDHSP90AA1ALDH1A1MAPTMEN1
SCHEMBL32686061 0.75 HPGD (0.56) HPGDALDH1A1LMNAATMSMN1; SMN2
SCHEMBL1608348 0.75 COMT (0.59) HPGDHSP90AA1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 HPGD 163/4885HSP90AA1 2735/4885ALDH1A1 65/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 HPGD 611/4885HSP90AA1 4079/4885ALDH1A1 233/4885

“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.