SCHEMBL5878690

SCHEMBL5878690

COc1ccc(O)cc1SC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
BACE1 P56817 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 4/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.39
CAPN1 P07384 1/20 0.39
CYP1A1 P04798 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 4/20 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
SCHEMBL5746669 0.83 MAOB (0.57) MAOBBACE1ESR1ESR2MAPT
SCHEMBL13294876 0.78 ACHE (0.60) MAPTCYP3A4ALDH1A1KDM4EHPGD
SCHEMBL21780871 0.77 BACE1 (0.47) MAOBBACE1MAPTCYP3A4ALDH1A1
SCHEMBL11612722 0.77 CA12 (0.58) MAPTCYP3A4ALDH1A1LMNAGAA
SCHEMBL2089252 0.77 CYP1A1 (0.44) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL16562813 0.75 MEN1 (0.51) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL4180414 0.75 IDO1 (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2481401 0.75 HSD17B10 (0.36) MAOBESR1ESR2MAPTCYP3A4
SCHEMBL30514387 0.75 MAOB (0.70) MAOBESR1ESR2MAPTCYP3A4
SCHEMBL119396 0.75 MAOB (0.70) MAOBESR1ESR2MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691375-B1 SUBSTITUTED BENZIMIDAZOLES AS MPS-1 KINASE INHIBITORS BAYER IP GMBH (DE) 2016-03-16 EP disclosed
WO-2012130905-A1 SUBSTITUTED BENZIMIDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 WO disclosed
US-7129234-B2 Phenyl heterocyclyl ethers PFIZER INC. (US) 2006-10-31 US disclosed
EP-1377550-B9 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2005-11-23 EP disclosed
EP-1268396-B1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-07-20 EP disclosed
EP-1377550-B1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2004-11-03 EP disclosed
US-20040106594-A1 Phenyl heterocyclyl ethers PFIZER INC 2004-06-03 US disclosed
EP-1377550-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030207857-A1 Phenyl heterocyclyl ethers PFIZER INC. 2003-11-06 US disclosed
EP-1268396-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2003-01-02 EP disclosed
WO-2002083643-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2002-10-24 WO disclosed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US disclosed
US-20020052395-A1 Diphenyl ether compounds useful in therapy ANDREWS MARK DAVID (GB) 2002-05-02 US disclosed
WO-2001072687-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2001-10-04 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 (3 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-20020052395-A1 Diphenyl ether compounds useful in therapy CBR1, OGFR, CBR3 MAOB 1274/4885BACE1 3704/4885ESR1 1203/4885
US-20030207857-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI MAOB 1674/4885BACE1 2392/4885ESR1 260/4885
US-20040106594-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI MAOB 1674/4885BACE1 2392/4885ESR1 260/4885

“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.