SCHEMBL649228

SCHEMBL649228

CC(C)(Br)C(=O)NCCNC(=O)C(C)(C)Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
CA3 P07451 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
MMP8 P22894 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 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
SCHEMBL16268506 0.91 POLB (0.38) POLBALDH1A1SMN1; SMN2USP2TSHR
SCHEMBL19736642 0.89 POLB (0.33) POLBALDH1A1SMN1; SMN2USP2TSHR
SCHEMBL4496590 0.87 CNR1 (0.42) POLBALDH1A1SMN1; SMN2USP2TSHR
SCHEMBL3711677 0.85 MAOB (0.37) POLBALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL13121178 0.84 CA12 (0.35) POLBALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL14307207 0.84 TSHR (0.37) POLBALDH1A1SMN1; SMN2TSHRTP53
Hydrochloric Acid SCHEMBL9983100 0.84 MEN1 (0.39) POLBALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL17669630 0.84 ECE1 (0.42) POLBTSHRKMT2ALMNA
SCHEMBL22351756 0.84 EPHX1 (0.52) POLBALDH1A1SMN1; SMN2TSHREPHX1
SCHEMBL14052421 0.84 PTGS1 (0.47) POLBALDH1A1SMN1; SMN2CA3CA5A

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-8119710-B2 Filled rubber compounds with improved processability BASF SE (DE) 2012-02-21 US disclosed
US-20100317778-A1 Filled Rubber Compounds with Improved Processability CIBA CORPORATION 2010-12-16 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-20100317778-A1 Filled Rubber Compounds with Improved Processability RER1, RIF1, REV1 POLB 569/4885ALDH1A1 1605/4885SMN1; SMN2 940/4885

“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.