SCHEMBL640968

SCHEMBL640968

N#Cc1ccccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.54
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
AR P10275 2/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
NR1I2 O75469 1/20 0.50
TTR P02766 1/20 0.50
PGR P06401 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HSPA5 P11021 1/20 0.50
HPGD P15428 1/20 0.50
CBR1 P16152 1/20 0.50
TBXA2R P21731 1/20 0.50
AGTR1 P30556 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PGGT1B P53609 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL11758094 0.86 FNTA (0.57) SLC6A3SLC6A2SLC6A4ARMAPT
SCHEMBL29574172 0.84 TTR (0.56) SLC6A3SLC6A2SLC6A4ARMAPT
SCHEMBL3355529 0.84 AR (0.49) SLC6A3SLC6A2SLC6A4ARMAPT
SCHEMBL28696921 0.81 KDM4E (0.54) SLC6A3SLC6A2SLC6A4ARMAPT
SCHEMBL7054403 0.80 GAA (0.64) ARHPGDSLC22A12POLBGAA
SCHEMBL14967107 0.79 EZH2 (0.60) ARTTRHPGDEZH2MRGPRX4
SCHEMBL11755731 0.79 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4ARMAPT
SCHEMBL8431375 0.78 GAA (0.62) ARSLC22A12POLBGAA
SCHEMBL5142593 0.78 TTR (0.65) SLC6A3SLC6A2SLC6A4ARMAPT
SCHEMBL7186092 0.78 TTR (0.75) SLC6A3SLC6A2SLC6A4MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
US-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US disclosed
EP-1268483-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 US disclosed
WO-2001068651-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 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 (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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 SLC6A3 955/4885SLC6A2 1455/4885SLC6A4 912/4885
US-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 SLC6A3 1053/4885SLC6A2 1098/4885SLC6A4 1209/4885

“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.