SCHEMBL18177880

SCHEMBL18177880

CC(C)(C)c1ncnc2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.53
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.51
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
MAPT P10636 1/20 0.46
NCOA1 Q15788 2/20 0.46
NCOA3 Q9Y6Q9 2/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALK Q9UM73 1/20 0.45
HPGD P15428 1/20 0.45
MTOR P42345 1/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CD O00329 1/20 0.44

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
SCHEMBL21305275 0.80 FYN (0.42) ALDH1A1MAPTHPGDIRAK4
SCHEMBL21849276 0.80 HTT (0.47) HTTLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL12744657 0.79 USP10 (0.45) HTT
SCHEMBL25670588 0.79 PARP1 (0.41) HTTLMNAALDH1A1ALKGLA
SCHEMBL14090669 0.79 CSF1R (0.48) HTTLMNAALDH1A1KDM4EMEN1
SCHEMBL13043952 0.76 EGFR (0.47) HTTCCNCCDK8IRAK4
SCHEMBL12775544 0.76 MAPT (0.54) LMNAMAPTNCOA1NCOA3KDM4E
SCHEMBL8021772 0.76 HTT (0.57) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL17557698 0.75 HTT (0.49) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL803121 0.73 PI4KA (0.50) HTTLMNAALDH1A1MAPK1NPC1

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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 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 (3 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 HTT 3738/4885LMNA 966/4885SMN1; SMN2 4517/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 HTT 3738/4885LMNA 966/4885SMN1; SMN2 4517/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 HTT 3738/4885LMNA 966/4885SMN1; SMN2 4517/4885

“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.