SCHEMBL1097992

SCHEMBL1097992

CCN(CC)C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.57
HSP90AB1 P08238 5/20 0.57
HPGD P15428 8/20 0.56
MLYCD O95822 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
BLM P54132 1/20 0.53
MAPT P10636 1/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 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
SCHEMBL471664 0.86 HPGD (0.66) HSP90AA1HSP90AB1HPGDMLYCDTDP1
SCHEMBL30786345 0.86 HPGD (0.66) HSP90AA1HSP90AB1HPGDMLYCDTDP1
SCHEMBL10266907 0.84 HPGD (0.64) HSP90AA1HSP90AB1HPGDMLYCDTDP1
SCHEMBL29956989 0.83 HSP90AA1 (0.51) HSP90AA1HSP90AB1HPGDMLYCDTDP1
SCHEMBL24476677 0.82 HSP90AA1 (0.66) HSP90AA1HSP90AB1HPGDMLYCDTDP1
SCHEMBL22460629 0.82 HSP90AA1 (0.54) HSP90AA1HSP90AB1HPGDMLYCDTDP1
SCHEMBL20645627 0.82 HPGD (0.54) HSP90AA1HSP90AB1HPGDMLYCDTDP1
SCHEMBL24370814 0.82 HSP90AA1 (0.66) HSP90AA1HSP90AB1HPGDMLYCDTDP1
SCHEMBL15420246 0.81 LMNA (0.51) HSP90AA1HSP90AB1HPGDMLYCDTDP1
SCHEMBL5703500 0.80 HPGD (0.73) HSP90AA1HSP90AB1HPGDMLYCDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110143941-B Synthesis method of intermediate of balusavir mefene 北京四环制药有限公司 2021-05-25 CN disclosed
CN-110143941-A A kind of synthetic method of Barrow Sa Weimabo ester intermediate 北京四环制药有限公司 2019-08-20 CN disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
CN-102245596-A Quinazolinamide derivatives MERCK PATENT GMBH 2011-11-16 CN disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2001866-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-17 EP disclosed
US-7297379-B2 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-11-20 US disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO disclosed
US-20050255258-A1 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-17 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 HSP90AA1 1527/4885HSP90AB1 932/4885HPGD 269/4885
US-20050255258-A1 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures SCO2, CHRM1, CBR1 HSP90AA1 4030/4885HSP90AB1 3922/4885HPGD 3247/4885

“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.