SCHEMBL1992948

SCHEMBL1992948

C#C[Si](C)(C)C.CCC(C(=O)O)n1nnc(-c2cncc(Br)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CASP3 P42574 2/20 0.37
POLB P06746 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HTT P42858 3/20 0.35
ALOX15 P16050 2/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
SCD O00767 1/20 0.33
CTSL P07711 1/20 0.33
KMT2A Q03164 2/20 0.33
PTK2 Q05397 1/20 0.33
CYP11B2 P19099 1/20 0.32

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
SCHEMBL1967150 0.92 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL1965405 0.79 KDM4E (0.50) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL1393716 0.70 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL1395381 0.70 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL3233566 0.70 SCD (0.57) HPGDCASP3POLBHCAR2SCD
SCHEMBL1238494 0.69 KDM4E (0.51) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL14629954 0.69 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL1238261 0.66 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL4211327 0.66 PTK2 (0.47) SMN1; SMN2POLBHCAR2RAB9APTK2
SCHEMBL3319892 0.65 KDM4E (0.51) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 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 (1 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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SMN1; SMN2 2669/4885ALDH1A1 518/4885MAPK1 2189/4885

“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.