SCHEMBL1609326

SCHEMBL1609326

O=C(c1sc2cc(O)c(O)cc2c1Cl)N1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.44
RECQL P46063 1/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
GPR35 Q9HC97 1/20 0.41
HTR2C P28335 3/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CES2 O00748 1/20 0.38
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL1609311 0.84 STING1 (0.51) ALDH1A1HPGDMAPTCYP1A2CYP3A4
SCHEMBL1608165 0.83 HPGD (0.62) ALDH1A1HPGDMAPTCYP1A2CYP3A4
SCHEMBL1609107 0.78 TSHR (0.46) ALDH1A1HPGDMAPTCYP1A2CYP3A4
SCHEMBL1608688 0.76 COMT (0.58) ALDH1A1HPGDMAPTCYP1A2CYP3A4
SCHEMBL1608951 0.72 GPR35 (0.69) ALDH1A1MAPTLMNAGPR35NPC1
SCHEMBL13662602 0.72 GPR35 (0.54) ALDH1A1HPGDMAPTCYP3A4KMT2A
SCHEMBL1608247 0.72 HPGD (0.55) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL3454668 0.71 ALDH1A1 (0.61) ALDH1A1HPGDMAPTCYP1A2CYP3A4
SCHEMBL1609283 0.69 GPR35 (0.56) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL13659636 0.69 GPR35 (0.51) ALDH1A1HPGDMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282957-B New pharmaceutical compounds ORION CORP 2013-07-10 CN disclosed
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
CN-101282957-A New pharmaceutical compounds ORION CORP (FI) 2008-10-08 CN 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 ALDH1A1 65/4885HPGD 163/4885MAPT 1148/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 ALDH1A1 233/4885HPGD 611/4885MAPT 2131/4885

“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.