SCHEMBL762918

SCHEMBL762918

CCOC(=O)Cn1ncc2c1CCC[C@@H]2N=N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPM2 O94759 1/20 0.37
PTGS2 P35354 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C19 P33261 1/20 0.34
XDH P47989 1/20 0.34
CYP19A1 P11511 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL763666 1.00 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2
SCHEMBL16495715 0.86 SMN1; SMN2 (0.37) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2
SCHEMBL13513388 0.86 SMN1; SMN2 (0.37) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2
SCHEMBL13513386 0.86 SMN1; SMN2 (0.37) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2
SCHEMBL700362 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2
SCHEMBL700361 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2
SCHEMBL13513393 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2
SCHEMBL701288 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2
SCHEMBL700698 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2
SCHEMBL700699 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1TRPM2PTGS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 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 (4 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 SMN1; SMN2 4478/4885LMNA 3868/4885ALDH1A1 317/4885
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 SMN1; SMN2 4457/4885LMNA 3455/4885ALDH1A1 507/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SMN1; SMN2 4478/4885LMNA 3868/4885ALDH1A1 317/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SMN1; SMN2 4457/4885LMNA 3455/4885ALDH1A1 507/4885

“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.