SCHEMBL6358686

SCHEMBL6358686

Cc1cc(C)c(CBr)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
RAPGEF4 Q8WZA2 7/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL18688537 0.88 TSHR (0.33) TSHRALDH1A1MAPTRAPGEF4L3MBTL1
SCHEMBL585059 0.83 HRH3 (0.40) TSHRALDH1A1MAPTRAPGEF4HRH3
SCHEMBL6355236 0.82 RAPGEF4 (0.39) TSHRALDH1A1MAPTRAPGEF4L3MBTL1
SCHEMBL17648045 0.80 HRH3 (0.39) TSHRALDH1A1MAPTRAPGEF4HRH3
SCHEMBL13236569 0.79 TSHR (0.43) TSHRALDH1A1MAPTRAPGEF4L3MBTL1
SCHEMBL27057395 0.77 TSHR (0.38) TSHRALDH1A1MAPTRAPGEF4L3MBTL1
SCHEMBL26566694 0.77 TSHR (0.38) TSHRALDH1A1MAPTRAPGEF4L3MBTL1
SCHEMBL8515627 0.76 TSHR (0.37) TSHRALDH1A1MAPTRAPGEF4L3MBTL1
SCHEMBL28345030 0.74 HRH3 (0.35) ALDH1A1MAPTRAPGEF4L3MBTL1HRH3
SCHEMBL18977695 0.74 AR (0.37) ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154007-A1 New compounds AMIN KOSRAT (SE) 2005-07-14 US disclosed
US-6790960-B2 Compounds ASTRAZENECA AB (SE) 2004-09-14 US disclosed
EP-1411056-A2 Imidazo[1,2-a]pyridine compounds that inhibit gastric acid secretion, pharmaceutical compositions thereof, and processes for their preparation AstraZeneca AB (SE) 2004-04-21 EP disclosed
US-20030220364-A1 New compounds AMIN KOSRAT (SE) 2003-11-27 US disclosed
US-6579884-B1 Compounds ASTRAZENECA AB (SE) 2003-06-17 US disclosed
EP-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 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-20030220364-A1 New compounds SLC10A2, GIPR, FABP2 TSHR 2682/4885ALDH1A1 1399/4885MAPT 4537/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 TSHR 2629/4885ALDH1A1 1838/4885MAPT 4568/4885

“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.