SCHEMBL2452141

SCHEMBL2452141

C[C](C)CCC(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HAO1 Q9UJM8 1/20 0.54
GSK3B P49841 2/20 0.52
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
FFAR1 O14842 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
RAB9A P51151 1/20 0.50
HIF1A Q16665 1/20 0.50
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL16499440 0.94 GSK3B (0.57) HDAC1HDAC8GSK3BKMT2AMEN1
SCHEMBL241664 0.84 GSK3B (0.70) HDAC1HDAC8HAO1GSK3BKMT2A
SCHEMBL7865681 0.83 SMN1; SMN2 (0.72) HDAC1HDAC8HAO1GSK3BKMT2A
SCHEMBL9337970 0.83 SMN1; SMN2 (0.70) HDAC1HDAC8HAO1GSK3BKMT2A
SCHEMBL6286372 0.82 GSK3B (0.57) HDAC1HDAC8HAO1GSK3BKMT2A
SCHEMBL27443988 0.81 GSK3B (0.61) HDAC1HDAC8HAO1GSK3BKMT2A
SCHEMBL7925389 0.81 KMT2A (0.59) HDAC1HDAC8HAO1GSK3BKMT2A
SCHEMBL9341720 0.80 HDAC1 (0.64) HDAC1HDAC8HAO1GSK3BSMN1; SMN2
SCHEMBL17973414 0.79 HAO1 (0.66) HDAC1HDAC8HAO1GSK3BKMT2A
SCHEMBL2293051 0.79 GSR (0.57) HDAC1HDAC8HAO1GSK3BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-2550267-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 EP disclosed
WO-2011154871-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-12-15 WO disclosed
WO-2011119853-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 WO 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-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP HDAC1 2070/4885HDAC8 2999/4885HAO1 2996/4885

“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.