SCHEMBL733848

SCHEMBL733848

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1cnc(Oc2cc(Cl)ccc2Cl)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
F10 P00742 2/20 0.32
SCN9A Q15858 2/20 0.32
MAPK14 Q16539 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
GPBAR1 Q8TDU6 4/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL733847 1.00 KMT2A (0.33) KMT2AF10SCN9AMAPK14SMN1; SMN2
SCHEMBL732289 0.94 KMT2A (0.33) KMT2AF10SCN9AMAPK14SMN1; SMN2
SCHEMBL732288 0.94 KMT2A (0.33) KMT2AF10SCN9AMAPK14SMN1; SMN2
SCHEMBL751220 0.92 KMT2A (0.35) KMT2ASCN9ASMN1; SMN2L3MBTL1GAA
SCHEMBL732786 0.92 SCN9A (0.35) KMT2AF10SCN9AMAPK14SMN1; SMN2
SCHEMBL732785 0.92 SCN9A (0.35) KMT2AF10SCN9AMAPK14SMN1; SMN2
Ethane SCHEMBL734596 0.92 KMT2A (0.35) KMT2ASCN9ASMN1; SMN2L3MBTL1GAA
SCHEMBL13513367 0.92 F10 (0.32) KMT2AF10SCN9AMAPK14SMN1; SMN2
SCHEMBL732295 0.92 MAPK14 (0.36) KMT2AF10MAPK14L3MBTL1TSHR
SCHEMBL732296 0.92 MAPK14 (0.36) KMT2AF10MAPK14L3MBTL1TSHR

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 4 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
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 KMT2A 2156/4885F10 736/4885SCN9A 2017/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 KMT2A 2156/4885F10 736/4885SCN9A 2017/4885

“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.