SCHEMBL18286388

SCHEMBL18286388

Cc1cn(C(C)C)c(=O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
BRD9 Q9H8M2 1/20 0.38
BRD7 Q9NPI1 1/20 0.38
USP5 P45974 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL18436532 0.80 BRD4 (0.40) BRD4SMN1; SMN2L3MBTL1TSHRHSD17B10
SCHEMBL13083322 0.80 KAT2B (0.37) BRD4SMN1; SMN2L3MBTL1TSHRHSD17B10
SCHEMBL1757958 0.79 L3MBTL1 (0.42) BRD4SMN1; SMN2L3MBTL1TSHRHSD17B10
SCHEMBL21904789 0.79 L3MBTL1 (0.42) BRD4SMN1; SMN2L3MBTL1TSHRHSD17B10
SCHEMBL18378752 0.78 CYP1A2 (0.46) BRD4SMN1; SMN2L3MBTL1TSHRHSD17B10
SCHEMBL25004046 0.77 L3MBTL1 (0.40) BRD4SMN1; SMN2L3MBTL1TSHRHSD17B10
SCHEMBL1876668 0.76 SLC6A2 (0.50) SMN1; SMN2HSD17B10ALDH1A1KDM4EMGAM
SCHEMBL30633715 0.74 GAA (0.48) SMN1; SMN2HSD17B10PTGDR2ALDH1A1CYP2C19
SCHEMBL31309060 0.74 SMN1; SMN2 (0.38) BRD4SMN1; SMN2L3MBTL1TSHRHSD17B10
SCHEMBL22094637 0.74 SMN1; SMN2 (0.38) BRD4SMN1; SMN2L3MBTL1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-07-19 US disclosed
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 US disclosed
US-9512147-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 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-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 BRD4 1691/4885SMN1; SMN2 1952/4885L3MBTL1 293/4885
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 BRD4 1691/4885SMN1; SMN2 1952/4885L3MBTL1 293/4885

“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.