SCHEMBL734413

SCHEMBL734413

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPBWR1 P48145 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
F10 P00742 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 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
SCHEMBL734412 1.00 POLB (0.37) POLBALDH1A1SMN1; SMN2MAPK1HCRTR1
SCHEMBL732124 0.95 POLB (0.34) POLBALDH1A1SMN1; SMN2MAPK1HCRTR1
SCHEMBL732123 0.95 POLB (0.34) POLBALDH1A1SMN1; SMN2MAPK1HCRTR1
SCHEMBL734020 0.95 F10 (0.37) POLBALDH1A1SMN1; SMN2MAPK1F10
SCHEMBL734021 0.95 F10 (0.37) POLBALDH1A1SMN1; SMN2MAPK1F10
SCHEMBL733181 0.94 HSP90AA1 (0.35) POLBALDH1A1SMN1; SMN2MAPK1HCRTR1
SCHEMBL733182 0.94 HSP90AA1 (0.35) POLBALDH1A1SMN1; SMN2MAPK1HCRTR1
SCHEMBL733072 0.94 SCN9A (0.36) POLBALDH1A1F10MAPTNPSR1
SCHEMBL13513346 0.94 POLB (0.34) POLBALDH1A1SMN1; SMN2MAPK1HCRTR1
SCHEMBL733073 0.94 SCN9A (0.36) POLBALDH1A1F10MAPTNPSR1

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
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 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 (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-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 POLB 3887/4885ALDH1A1 507/4885SMN1; SMN2 4457/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 POLB 3887/4885ALDH1A1 507/4885SMN1; SMN2 4457/4885

“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.