SCHEMBL21652308

SCHEMBL21652308

CCCC(C)(C)c1cccc(NS(=O)(=O)N(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
HPGD P15428 6/20 0.44
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KIF11 P52732 1/20 0.40
NTRK1 P04629 1/20 0.40
FLT3 P36888 1/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39

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
SCHEMBL21998702 0.84 NR3C2 (0.51) HTTHPGDKIF11BRD4MAPT
SCHEMBL21652254 0.84 KIF11 (0.47) HTTPOLBKIF11BRD4MAPT
SCHEMBL13155248 0.82 HTT (0.56) HTTHPGDMEN1KMT2AKIF11
SCHEMBL21998423 0.82 HPGD (0.46) HTTHPGDPOLBMEN1KMT2A
SCHEMBL20372223 0.74 ALDH1A1 (0.40) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14194063 0.73 HPGD (0.65) HTTHPGDPOLBMEN1KMT2A
SCHEMBL22928011 0.73 KMT2A (0.42) HTTHPGDPOLBKMT2AMAPT
SCHEMBL22928009 0.73 LMNA (0.61) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20366361 0.72 RAB9A (0.54) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18649037 0.72 KIF11 (0.49) POLBKIF11BRD4MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562915-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-02-18 US disclosed
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 HTT 4862/4885HPGD 1172/4885POLB 1840/4885
US-10562915-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 HTT 1978/4885HPGD 1266/4885POLB 586/4885

“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.