SCHEMBL732536

SCHEMBL732536

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
POLB P06746 1/20 0.34
F10 P00742 2/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL732535 1.00 APOBEC3A (0.35) APOBEC3AAPOBEC3GPOLBF10ALDH1A1
SCHEMBL734021 0.94 F10 (0.37) POLBF10ALDH1A1MAPTMAPK1
SCHEMBL734020 0.94 F10 (0.37) POLBF10ALDH1A1MAPTMAPK1
SCHEMBL732123 0.94 POLB (0.34) POLBF10ALDH1A1MAPTMAPK1
SCHEMBL732124 0.94 POLB (0.34) POLBF10ALDH1A1MAPTMAPK1
SCHEMBL734412 0.94 POLB (0.37) POLBF10ALDH1A1MAPTMAPK1
SCHEMBL734413 0.94 POLB (0.37) POLBF10ALDH1A1MAPTMAPK1
SCHEMBL733182 0.94 HSP90AA1 (0.35) POLBF10ALDH1A1MAPTMAPK1
SCHEMBL733181 0.94 HSP90AA1 (0.35) POLBF10ALDH1A1MAPTMAPK1
SCHEMBL733072 0.93 SCN9A (0.36) POLBF10ALDH1A1MAPTNPSR1

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 APOBEC3A 4403/4885APOBEC3G 4382/4885POLB 3887/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 APOBEC3A 4403/4885APOBEC3G 4382/4885POLB 3887/4885

“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.