SCHEMBL733820

SCHEMBL733820

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1cnc(Oc2cccc(Cl)c2)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.33
F10 P00742 2/20 0.32
ADRB3 P13945 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL733819 1.00 HTT (0.36) HTTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL733224 0.93 KMT2A (0.34) KMT2AF10L3MBTL1
SCHEMBL733225 0.93 KMT2A (0.34) KMT2AF10L3MBTL1
SCHEMBL732295 0.92 MAPK14 (0.36) CYP1A2KMT2AF10L3MBTL1MAPK1
SCHEMBL732296 0.92 MAPK14 (0.36) CYP1A2KMT2AF10L3MBTL1MAPK1
SCHEMBL733794 0.92 F10 (0.35) CYP1A2CYP2C9CYP2C19KMT2AF10
SCHEMBL733795 0.92 F10 (0.35) CYP1A2CYP2C9CYP2C19KMT2AF10
SCHEMBL733848 0.90 KMT2A (0.33) KMT2AF10L3MBTL1SMN1; SMN2
SCHEMBL733847 0.90 KMT2A (0.33) KMT2AF10L3MBTL1SMN1; SMN2
SCHEMBL732288 0.90 KMT2A (0.33) KMT2AF10L3MBTL1SMN1; SMN2

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 HTT 3596/4885CYP1A2 409/4885CYP2C9 1239/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 HTT 3596/4885CYP1A2 409/4885CYP2C9 1239/4885

“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.