SCHEMBL703389

SCHEMBL703389

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
KMT2A Q03164 2/20 0.40
HTT P42858 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
S100A9 P06702 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
F10 P00742 1/20 0.33

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
SCHEMBL752764 0.90 CYP1A2 (0.36) ALDH1A1KMT2AHTTLMNAL3MBTL1
SCHEMBL700316 0.88 KMT2A (0.47) ALDH1A1KMT2AHTTGAAMAPT
SCHEMBL734598 0.88 KMT2A (0.47) ALDH1A1KMT2AHTTGAAMAPT
SCHEMBL700252 0.86 ALDH1A1 (0.36) ALDH1A1KMT2AS100A9L3MBTL1CYP1A2
SCHEMBL10166779 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AHTTLMNAL3MBTL1
SCHEMBL702894 0.85 ALDH1A1 (0.32) ALDH1A1KMT2AL3MBTL1CYP1A2F10
SCHEMBL733194 0.85 MMP2 (0.40) F10
SCHEMBL733183 0.85 MMP2 (0.40) F10
SCHEMBL700692 0.85 F10 (0.37) ALDH1A1KMT2AL3MBTL1CYP1A2F10
SCHEMBL732243 0.84 KDM4C (0.35) ALDH1A1KMT2AHTTGAADRD2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099342-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN claimed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US claimed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
CN-102099342-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
CN-102099342-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
CN-102099342-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN disclosed
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885KMT2A 1942/4885HTT 3176/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885KMT2A 1942/4885HTT 3176/4885

“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.