SCHEMBL4523401

SCHEMBL4523401

O=C(CBr)COC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
HPGD P15428 2/20 0.57
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PTPN1 P18031 1/20 0.50
GSK3B P49841 1/20 0.50

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
SCHEMBL4586692 0.88 TDP1 (0.63) RAB9ANPC1HPGDTDP1ALDH1A1
SCHEMBL714123 0.82 TDP1 (0.57) RAB9ANPC1HPGDTDP1ALDH1A1
SCHEMBL537205 0.81 TDP1 (0.65) RAB9ANPC1HPGDTDP1ALDH1A1
SCHEMBL712632 0.81 LMNA (0.61) RAB9ANPC1HPGDTDP1ALDH1A1
SCHEMBL3829668 0.81 TDP1 (0.55) RAB9ANPC1HPGDTDP1ALDH1A1
SCHEMBL11570127 0.80 RAB9A (0.53) RAB9ANPC1HPGDTDP1ALDH1A1
SCHEMBL11570130 0.80 RAB9A (0.53) RAB9ANPC1HPGDTDP1ALDH1A1
SCHEMBL582352 0.79 TDP1 (0.63) RAB9ANPC1HPGDTDP1ALDH1A1
SCHEMBL194520 0.79 TDP1 (0.63) RAB9ANPC1HPGDTDP1ALDH1A1
SCHEMBL31420198 0.79 TDP1 (0.63) RAB9ANPC1HPGDTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384629-B Photochromic compositions and articles containing siloxane, alkylene, or substituted alkylene oligomers POLYMERS AUSTRALIA PTY LTD 2012-05-16 CN disclosed
CN-101087862-B Photochromic compounds comprising polymeric substituents, process for their preparation and their use POLYMERS AUSTRALIA PTY LTD 2011-10-26 CN disclosed
CN-101827840-A Imidazolidine-2,4-dione (hydantoin) derivatives useful as npy y2 receptor modulators NOVARTIS AG 2010-09-08 CN disclosed
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 US disclosed
CN-101384629-A Photochromic compositions and articles containing siloxane, alkylene, or substituted alkylene oligomers POLYMERS AUSTRALIA PTY LTD (AU) 2009-03-11 CN disclosed
CN-101087862-A Photochromic compounds comprising polymeric substituents, process for their preparation and their use POLYMERS AUSTRALIA PTY LTD (AU) 2007-12-12 CN disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 US disclosed
EP-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
US-20060094735-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-04 US disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
US-20040077668-A1 Compounds, compositins, and methods CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 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 (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-20040077668-A1 Compounds, compositins, and methods CEP170, PSAP, PACSIN2 RAB9A 4310/4885NPC1 1720/4885HPGD 1813/4885
US-20060094735-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 RAB9A 2407/4885NPC1 366/4885HPGD 802/4885

“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.