SCHEMBL4604459

SCHEMBL4604459

O=Cc1ccccc1-c1sc2ccccc2c1OCCCOc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
CXCR2 P25025 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNA3 P22001 2/20 0.36
ITGA4 P13612 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4606717 0.87 ALDH1A1 (0.39) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4606119 0.85 HPGD (0.35) SMN1; SMN2ALDH1A1HPGDHTTCXCR2
SCHEMBL4604543 0.82 SENP2 (0.40) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4605382 0.80 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HPGDHTTKCNA3
SCHEMBL4605363 0.80 TDP1 (0.46) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4604071 0.79 PDE4A (0.40) L3MBTL1ESR1ESR2
SCHEMBL4606572 0.76 SENP5 (0.42) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL4605508 0.74 ALOX5AP (0.36) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4827473 0.74 NPC1 (0.33) SMN1; SMN2RAB9AALDH1A1NPC1ESR1
SCHEMBL4633991 0.71 CXCR2 (0.62) ALDH1A1MAPTLMNACXCR2KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP claimed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US claimed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 US claimed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 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-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R SMN1; SMN2 1235/4885RAB9A 4246/4885ALDH1A1 1032/4885

“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.